(2R)-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]propanamide

C18H20N6OS2 — CID 9465670

IUPAC(2R)-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCCc1ccc(-c2csc(NC(=O)[C@@H](C)Sc3nnnn3C3CC3)n2)cc1
InChIInChI=1S/C18H20N6OS2/c1-3-12-4-6-13(7-5-12)15-10-26-17(19-15)20-16(25)11(2)27-18-21-22-23-24(18)14-8-9-14/h4-7,10-11,14H,3,8-9H2,1-2H3,(H,19,20,25)/t11-/m1/s1
InChIKeyKYQNVXZTGNYFPI-LLVKDONJSA-N
MW400.53 g/mol
LogP3.81
Rot. Bonds7

About (2R)-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]propanamide

(2R)-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 9465670) has the molecular formula C18H20N6OS2 and a molecular weight of 400.53 g/mol. Its IUPAC name is (2R)-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]propanamide
PubChem CID9465670
Molecular FormulaC18H20N6OS2
Molecular Weight400.53 g/mol
Exact Mass400.11
IUPAC Name(2R)-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCCc1ccc(-c2csc(NC(=O)[C@@H](C)Sc3nnnn3C3CC3)n2)cc1
InChIInChI=1S/C18H20N6OS2/c1-3-12-4-6-13(7-5-12)15-10-26-17(19-15)20-16(25)11(2)27-18-21-22-23-24(18)14-8-9-14/h4-7,10-11,14H,3,8-9H2,1-2H3,(H,19,20,25)/t11-/m1/s1
InChIKeyKYQNVXZTGNYFPI-LLVKDONJSA-N
XLogP3.81
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (2R)-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]propanamide with MolForge

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Related Compounds

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 9465663
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]propanamide
CID 46642116
2-(4-acetamidophenyl)sulfanyl-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 22830494
(2R)-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 42124387
2-(1-benzyltetrazol-5-yl)sulfanyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide
CID 55442614
(2S)-N-(4-acetamidophenyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanamide
CID 27096067
(2S)-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)propanamide
CID 27096965
2,2-dichloro-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 4072325
(2S)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 2618602
(2S)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanylpropanamide
CID 25399273
[(2R)-1-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] cyclopentanecarboxylate
CID 7717492
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-propan-2-ylphenyl)propanamide
CID 24519960

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of (2R)-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]propanamide (CID 9465670) is (2R)-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for (2R)-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for (2R)-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]propanamide is CCc1ccc(-c2csc(NC(=O)[C@@H](C)Sc3nnnn3C3CC3)n2)cc1.
What is the InChIKey of (2R)-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is KYQNVXZTGNYFPI-LLVKDONJSA-N. The full InChI is InChI=1S/C18H20N6OS2/c1-3-12-4-6-13(7-5-12)15-10-26-17(19-15)20-16(25)11(2)27-18-21-22-23-24(18)14-8-9-14/h4-7,10-11,14H,3,8-9H2,1-2H3,(H,19,20,25)/t11-/m1/s1.
What are the key properties of (2R)-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]propanamide?
(2R)-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 400.53 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 9465670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).