N-[4-phenyl-5-(2-propyltetrazol-5-yl)-1,3-thiazol-2-yl]propanamide

C16H18N6OS — CID 11566340

IUPACN-[4-phenyl-5-(2-propyltetrazol-5-yl)-1,3-thiazol-2-yl]propanamide
SMILESCCCn1nnc(-c2sc(NC(=O)CC)nc2-c2ccccc2)n1
InChIInChI=1S/C16H18N6OS/c1-3-10-22-20-15(19-21-22)14-13(11-8-6-5-7-9-11)18-16(24-14)17-12(23)4-2/h5-9H,3-4,10H2,1-2H3,(H,17,18,23)
InChIKeyLNXCYMFSMQCWCD-UHFFFAOYSA-N
MW342.43 g/mol
LogP3.22
Rot. Bonds6

About N-[4-phenyl-5-(2-propyltetrazol-5-yl)-1,3-thiazol-2-yl]propanamide

N-[4-phenyl-5-(2-propyltetrazol-5-yl)-1,3-thiazol-2-yl]propanamide (PubChem CID 11566340) has the molecular formula C16H18N6OS and a molecular weight of 342.43 g/mol. Its IUPAC name is N-[4-phenyl-5-(2-propyltetrazol-5-yl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[4-phenyl-5-(2-propyltetrazol-5-yl)-1,3-thiazol-2-yl]propanamide
PubChem CID11566340
Molecular FormulaC16H18N6OS
Molecular Weight342.43 g/mol
Exact Mass342.13
IUPAC NameN-[4-phenyl-5-(2-propyltetrazol-5-yl)-1,3-thiazol-2-yl]propanamide
SMILESCCCn1nnc(-c2sc(NC(=O)CC)nc2-c2ccccc2)n1
InChIInChI=1S/C16H18N6OS/c1-3-10-22-20-15(19-21-22)14-13(11-8-6-5-7-9-11)18-16(24-14)17-12(23)4-2/h5-9H,3-4,10H2,1-2H3,(H,17,18,23)
InChIKeyLNXCYMFSMQCWCD-UHFFFAOYSA-N
XLogP3.22
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-N-[4-phenyl-5-(2-propyltetrazol-5-yl)-1,3-thiazol-2-yl]propanamide
CID 11646119
2-(3-methoxyphenyl)-N-[4-phenyl-5-[2-(2-phenylethyl)tetrazol-5-yl]-1,3-thiazol-2-yl]acetamide
CID 11648940
N-[5-(2-ethyltetrazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]furan-3-carboxamide
CID 11682117
N-(4,5-diphenyl-1,3-thiazol-2-yl)butanamide
CID 4099246
2-methyl-N-[4-phenyl-5-[2-(2-phenylethenyl)tetrazol-5-yl]-1,3-thiazol-2-yl]propanamide
CID 174530752
N-[5-(1-methylimidazol-4-yl)-4-phenyl-1,3-thiazol-2-yl]-2-phenylacetamide
CID 174530805
2-(dimethylamino)-N-[5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide
CID 87947563
2-cyano-N-[5-(4-methylphenyl)-4-phenyl-1,3-thiazol-2-yl]acetamide
CID 146189979
2-cyclopentyl-N-[5-(1-methylimidazol-4-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide
CID 174545041
N-[5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-4-phenyl-1,3-thiazol-2-yl]-2-phenoxyacetamide
CID 87947426
N-(4,5-diphenyl-1,3-thiazol-2-yl)-2-(2-hydroxyethylsulfanyl)acetamide
CID 2481015
N-(1,3-benzothiazol-2-yl)-2-[2-[(4,5-diphenyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylacetamide
CID 2158872

Frequently Asked Questions

What is the IUPAC name of N-[4-phenyl-5-(2-propyltetrazol-5-yl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of N-[4-phenyl-5-(2-propyltetrazol-5-yl)-1,3-thiazol-2-yl]propanamide (CID 11566340) is N-[4-phenyl-5-(2-propyltetrazol-5-yl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for N-[4-phenyl-5-(2-propyltetrazol-5-yl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for N-[4-phenyl-5-(2-propyltetrazol-5-yl)-1,3-thiazol-2-yl]propanamide is CCCn1nnc(-c2sc(NC(=O)CC)nc2-c2ccccc2)n1.
What is the InChIKey of N-[4-phenyl-5-(2-propyltetrazol-5-yl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is LNXCYMFSMQCWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6OS/c1-3-10-22-20-15(19-21-22)14-13(11-8-6-5-7-9-11)18-16(24-14)17-12(23)4-2/h5-9H,3-4,10H2,1-2H3,(H,17,18,23).
What are the key properties of N-[4-phenyl-5-(2-propyltetrazol-5-yl)-1,3-thiazol-2-yl]propanamide?
N-[4-phenyl-5-(2-propyltetrazol-5-yl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 342.43 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-phenyl-5-(2-propyltetrazol-5-yl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 11566340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).