N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide

C19H15ClN6OS2 — CID 23889543

IUPACN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide
SMILESO=C(CCSc1nnnn1-c1ccccc1)Nc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C19H15ClN6OS2/c20-14-8-6-13(7-9-14)16-12-29-18(21-16)22-17(27)10-11-28-19-23-24-25-26(19)15-4-2-1-3-5-15/h1-9,12H,10-11H2,(H,21,22,27)
InChIKeyBKEPRWBGCMWXBJ-UHFFFAOYSA-N
MW442.96 g/mol
LogP4.56
Rot. Bonds7

About N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide (PubChem CID 23889543) has the molecular formula C19H15ClN6OS2 and a molecular weight of 442.96 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide
PubChem CID23889543
Molecular FormulaC19H15ClN6OS2
Molecular Weight442.96 g/mol
Exact Mass442.04
IUPAC NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide
SMILESO=C(CCSc1nnnn1-c1ccccc1)Nc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C19H15ClN6OS2/c20-14-8-6-13(7-9-14)16-12-29-18(21-16)22-17(27)10-11-28-19-23-24-25-26(19)15-4-2-1-3-5-15/h1-9,12H,10-11H2,(H,21,22,27)
InChIKeyBKEPRWBGCMWXBJ-UHFFFAOYSA-N
XLogP4.56
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.96
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 3939996
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 16608830
N-(5-chloro-2-methylphenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 23775373
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide
CID 46304999
2-(4-chlorophenyl)sulfanyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19203551
2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 124554451
3-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methylphenyl)propanamide
CID 4584339
2-(benzylamino)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 43814202
2-(4-chlorophenyl)sulfanyl-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 1479323
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)sulfanylpropanamide
CID 41324837
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 34807259
2-(4-benzylpiperazin-1-yl)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 22198171

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide?
The IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide (CID 23889543) is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide is O=C(CCSc1nnnn1-c1ccccc1)Nc1nc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide?
The InChIKey is BKEPRWBGCMWXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN6OS2/c20-14-8-6-13(7-9-14)16-12-29-18(21-16)22-17(27)10-11-28-19-23-24-25-26(19)15-4-2-1-3-5-15/h1-9,12H,10-11H2,(H,21,22,27).
What are the key properties of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide?
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide has a molecular weight of 442.96 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide is sourced from PubChem (CID 23889543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).