N-(2-ethylphenyl)-N-[4-[(2-methylquinazolin-4-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide

C23H22N4OS2 — CID 112774769

IUPACN-(2-ethylphenyl)-N-[4-[(2-methylquinazolin-4-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
SMILESCCc1ccccc1N(C(C)=O)c1nc(CSc2nc(C)nc3ccccc23)cs1
InChIInChI=1S/C23H22N4OS2/c1-4-17-9-5-8-12-21(17)27(16(3)28)23-26-18(14-30-23)13-29-22-19-10-6-7-11-20(19)24-15(2)25-22/h5-12,14H,4,13H2,1-3H3
InChIKeyNCUQHCZYAAPYDS-UHFFFAOYSA-N
MW434.59 g/mol
LogP5.93
Rot. Bonds6

About N-(2-ethylphenyl)-N-[4-[(2-methylquinazolin-4-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide

N-(2-ethylphenyl)-N-[4-[(2-methylquinazolin-4-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 112774769) has the molecular formula C23H22N4OS2 and a molecular weight of 434.59 g/mol. Its IUPAC name is N-(2-ethylphenyl)-N-[4-[(2-methylquinazolin-4-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-N-[4-[(2-methylquinazolin-4-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
PubChem CID112774769
Molecular FormulaC23H22N4OS2
Molecular Weight434.59 g/mol
Exact Mass434.12
IUPAC NameN-(2-ethylphenyl)-N-[4-[(2-methylquinazolin-4-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
SMILESCCc1ccccc1N(C(C)=O)c1nc(CSc2nc(C)nc3ccccc23)cs1
InChIInChI=1S/C23H22N4OS2/c1-4-17-9-5-8-12-21(17)27(16(3)28)23-26-18(14-30-23)13-29-22-19-10-6-7-11-20(19)24-15(2)25-22/h5-12,14H,4,13H2,1-3H3
InChIKeyNCUQHCZYAAPYDS-UHFFFAOYSA-N
XLogP5.93
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.59
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-ethylphenyl)-N-[4-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 8788294
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CID 16506660
N-[4-[(N-ethylanilino)methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide
CID 78822480
N-[4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide
CID 24619157
N-(2-ethylphenyl)-N-[4-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 112785080
N-(2,3-dimethylphenyl)-N-[4-[(2-methylphenyl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 52728155
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-(3-methylphenyl)-N-[4-[(2-thiophen-2-ylquinazolin-4-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 16507500
N-[4-[(4-benzylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide
CID 78815351
N-[4-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide
CID 33488591
N-[4-[[4-(ethylamino)quinazolin-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2-methoxyphenyl)acetamide
CID 38991853
N-(2-ethylphenyl)-N-[4-[(4-oxo-3-prop-2-enylthieno[3,2-d]pyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 24558951

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-N-[4-[(2-methylquinazolin-4-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-(2-ethylphenyl)-N-[4-[(2-methylquinazolin-4-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide (CID 112774769) is N-(2-ethylphenyl)-N-[4-[(2-methylquinazolin-4-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-N-[4-[(2-methylquinazolin-4-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-(2-ethylphenyl)-N-[4-[(2-methylquinazolin-4-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide is CCc1ccccc1N(C(C)=O)c1nc(CSc2nc(C)nc3ccccc23)cs1.
What is the InChIKey of N-(2-ethylphenyl)-N-[4-[(2-methylquinazolin-4-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is NCUQHCZYAAPYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4OS2/c1-4-17-9-5-8-12-21(17)27(16(3)28)23-26-18(14-30-23)13-29-22-19-10-6-7-11-20(19)24-15(2)25-22/h5-12,14H,4,13H2,1-3H3.
What are the key properties of N-(2-ethylphenyl)-N-[4-[(2-methylquinazolin-4-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide?
N-(2-ethylphenyl)-N-[4-[(2-methylquinazolin-4-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 434.59 g/mol, XLogP of 5.93, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-N-[4-[(2-methylquinazolin-4-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 112774769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).