N-[(S)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide

C16H17N5OS2 — CID 95128825

IUPACN-[(S)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)N[C@@H](c2ccccc2)c2nnc(N)s2)s1
InChIInChI=1S/C16H17N5OS2/c1-3-11-18-9(2)13(23-11)14(22)19-12(10-7-5-4-6-8-10)15-20-21-16(17)24-15/h4-8,12H,3H2,1-2H3,(H2,17,21)(H,19,22)/t12-/m0/s1
InChIKeyIBUKPPIFHZNSBE-LBPRGKRZSA-N
MW359.48 g/mol
LogP2.97
Rot. Bonds5

About N-[(S)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide

N-[(S)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 95128825) has the molecular formula C16H17N5OS2 and a molecular weight of 359.48 g/mol. Its IUPAC name is N-[(S)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(S)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID95128825
Molecular FormulaC16H17N5OS2
Molecular Weight359.48 g/mol
Exact Mass359.09
IUPAC NameN-[(S)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)N[C@@H](c2ccccc2)c2nnc(N)s2)s1
InChIInChI=1S/C16H17N5OS2/c1-3-11-18-9(2)13(23-11)14(22)19-12(10-7-5-4-6-8-10)15-20-21-16(17)24-15/h4-8,12H,3H2,1-2H3,(H2,17,21)(H,19,22)/t12-/m0/s1
InChIKeyIBUKPPIFHZNSBE-LBPRGKRZSA-N
XLogP2.97
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(S)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

2-ethyl-4-methyl-N-[phenyl(pyridin-2-yl)methyl]-1,3-thiazole-5-carboxamide
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N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide
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N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-pyrrolidin-1-ylacetamide
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CID 110374805
2-methyl-3-[(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)amino]-3-phenylpropanoic acid
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Frequently Asked Questions

What is the IUPAC name of N-[(S)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(S)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide (CID 95128825) is N-[(S)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(S)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(S)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide is CCc1nc(C)c(C(=O)N[C@@H](c2ccccc2)c2nnc(N)s2)s1.
What is the InChIKey of N-[(S)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is IBUKPPIFHZNSBE-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H17N5OS2/c1-3-11-18-9(2)13(23-11)14(22)19-12(10-7-5-4-6-8-10)15-20-21-16(17)24-15/h4-8,12H,3H2,1-2H3,(H2,17,21)(H,19,22)/t12-/m0/s1.
What are the key properties of N-[(S)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide?
N-[(S)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 359.48 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 95128825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).