N-[4-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide

C23H29N5OS2 — CID 24579027

IUPACN-[4-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCC(=O)N(c1nc(CSc2nnc(C(C)C)n2C2CC2)cs1)c1c(C)cc(C)cc1C
InChIInChI=1S/C23H29N5OS2/c1-13(2)21-25-26-23(28(21)19-7-8-19)31-12-18-11-30-22(24-18)27(17(6)29)20-15(4)9-14(3)10-16(20)5/h9-11,13,19H,7-8,12H2,1-6H3
InChIKeyCHAHVVFGHPQBFC-UHFFFAOYSA-N
MW455.65 g/mol
LogP6.10
Rot. Bonds7

About N-[4-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide

N-[4-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 24579027) has the molecular formula C23H29N5OS2 and a molecular weight of 455.65 g/mol. Its IUPAC name is N-[4-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID24579027
Molecular FormulaC23H29N5OS2
Molecular Weight455.65 g/mol
Exact Mass455.18
IUPAC NameN-[4-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCC(=O)N(c1nc(CSc2nnc(C(C)C)n2C2CC2)cs1)c1c(C)cc(C)cc1C
InChIInChI=1S/C23H29N5OS2/c1-13(2)21-25-26-23(28(21)19-7-8-19)31-12-18-11-30-22(24-18)27(17(6)29)20-15(4)9-14(3)10-16(20)5/h9-11,13,19H,7-8,12H2,1-6H3
InChIKeyCHAHVVFGHPQBFC-UHFFFAOYSA-N
XLogP6.10
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.65
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[4-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide with MolForge

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Related Compounds

N-[4-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 31988982
N-[4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 24591791
N-[4-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 112778447
N-[4-[(4-methoxyphenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 8907868
N-[4-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide
CID 24671011
N-[4-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide
CID 16585936
N-(2-chloro-4,6-dimethylphenyl)-N-[4-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 41425379
[2-(N-acetyl-2,4,6-trimethylanilino)-1,3-thiazol-4-yl]methyl pyrrolidine-1-carbodithioate
CID 7605648
N-[4-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide
CID 24671045
N-[4-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2,3-dimethylphenyl)acetamide
CID 35816369
N-[4-[(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide
CID 24591525
2-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetic acid
CID 25473323

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of N-[4-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide (CID 24579027) is N-[4-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for N-[4-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for N-[4-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide is CC(=O)N(c1nc(CSc2nnc(C(C)C)n2C2CC2)cs1)c1c(C)cc(C)cc1C.
What is the InChIKey of N-[4-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is CHAHVVFGHPQBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5OS2/c1-13(2)21-25-26-23(28(21)19-7-8-19)31-12-18-11-30-22(24-18)27(17(6)29)20-15(4)9-14(3)10-16(20)5/h9-11,13,19H,7-8,12H2,1-6H3.
What are the key properties of N-[4-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide?
N-[4-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 455.65 g/mol, XLogP of 6.10, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 24579027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).