N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(1H-1,2,4-triazol-5-yl)benzamide

C15H16N6OS — CID 131927854

IUPACN-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(1H-1,2,4-triazol-5-yl)benzamide
SMILESNc1nc(CCCNC(=O)c2ccccc2-c2ncn[nH]2)cs1
InChIInChI=1S/C15H16N6OS/c16-15-20-10(8-23-15)4-3-7-17-14(22)12-6-2-1-5-11(12)13-18-9-19-21-13/h1-2,5-6,8-9H,3-4,7H2,(H2,16,20)(H,17,22)(H,18,19,21)
InChIKeyFDZGTCAGISBBFF-UHFFFAOYSA-N
MW328.40 g/mol
LogP1.87
Rot. Bonds6

About N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(1H-1,2,4-triazol-5-yl)benzamide

N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(1H-1,2,4-triazol-5-yl)benzamide (PubChem CID 131927854) has the molecular formula C15H16N6OS and a molecular weight of 328.40 g/mol. Its IUPAC name is N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(1H-1,2,4-triazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(1H-1,2,4-triazol-5-yl)benzamide
PubChem CID131927854
Molecular FormulaC15H16N6OS
Molecular Weight328.40 g/mol
Exact Mass328.11
IUPAC NameN-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(1H-1,2,4-triazol-5-yl)benzamide
SMILESNc1nc(CCCNC(=O)c2ccccc2-c2ncn[nH]2)cs1
InChIInChI=1S/C15H16N6OS/c16-15-20-10(8-23-15)4-3-7-17-14(22)12-6-2-1-5-11(12)13-18-9-19-21-13/h1-2,5-6,8-9H,3-4,7H2,(H2,16,20)(H,17,22)(H,18,19,21)
InChIKeyFDZGTCAGISBBFF-UHFFFAOYSA-N
XLogP1.87
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(2-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 70776210
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5-chloro-2-fluorobenzamide
CID 91777823
N-(3-cyclohexyloxypropyl)-2-(1H-1,2,4-triazol-5-yl)benzamide
CID 74240570
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 70751468
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-phenoxybenzamide
CID 91769969
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide
CID 131918647
N-[2-(oxan-3-yl)ethyl]-2-(1H-1,2,4-triazol-5-yl)benzamide
CID 122561785
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(4-hydroxyphenyl)benzamide
CID 119071037
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(1H-1,2,4-triazol-5-yl)benzamide
CID 74247648
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 70715083
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 154570205
3-amino-2-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide
CID 64518359

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(1H-1,2,4-triazol-5-yl)benzamide?
The IUPAC name of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(1H-1,2,4-triazol-5-yl)benzamide (CID 131927854) is N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(1H-1,2,4-triazol-5-yl)benzamide.
What is the SMILES notation for N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(1H-1,2,4-triazol-5-yl)benzamide?
The canonical SMILES for N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(1H-1,2,4-triazol-5-yl)benzamide is Nc1nc(CCCNC(=O)c2ccccc2-c2ncn[nH]2)cs1.
What is the InChIKey of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(1H-1,2,4-triazol-5-yl)benzamide?
The InChIKey is FDZGTCAGISBBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6OS/c16-15-20-10(8-23-15)4-3-7-17-14(22)12-6-2-1-5-11(12)13-18-9-19-21-13/h1-2,5-6,8-9H,3-4,7H2,(H2,16,20)(H,17,22)(H,18,19,21).
What are the key properties of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(1H-1,2,4-triazol-5-yl)benzamide?
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(1H-1,2,4-triazol-5-yl)benzamide has a molecular weight of 328.40 g/mol, XLogP of 1.87, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(1H-1,2,4-triazol-5-yl)benzamide is sourced from PubChem (CID 131927854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).