N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(2-fluorophenyl)-1H-pyrazole-5-carboxamide

C16H16FN5OS — CID 70776210

IUPACN-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(2-fluorophenyl)-1H-pyrazole-5-carboxamide
SMILESNc1nc(CCCNC(=O)c2cc(-c3ccccc3F)n[nH]2)cs1
InChIInChI=1S/C16H16FN5OS/c17-12-6-2-1-5-11(12)13-8-14(22-21-13)15(23)19-7-3-4-10-9-24-16(18)20-10/h1-2,5-6,8-9H,3-4,7H2,(H2,18,20)(H,19,23)(H,21,22)
InChIKeyVDPCHVOKVLCYAB-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.62
Rot. Bonds6

About N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(2-fluorophenyl)-1H-pyrazole-5-carboxamide

N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(2-fluorophenyl)-1H-pyrazole-5-carboxamide (PubChem CID 70776210) has the molecular formula C16H16FN5OS and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(2-fluorophenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(2-fluorophenyl)-1H-pyrazole-5-carboxamide
PubChem CID70776210
Molecular FormulaC16H16FN5OS
Molecular Weight345.40 g/mol
Exact Mass345.11
IUPAC NameN-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(2-fluorophenyl)-1H-pyrazole-5-carboxamide
SMILESNc1nc(CCCNC(=O)c2cc(-c3ccccc3F)n[nH]2)cs1
InChIInChI=1S/C16H16FN5OS/c17-12-6-2-1-5-11(12)13-8-14(22-21-13)15(23)19-7-3-4-10-9-24-16(18)20-10/h1-2,5-6,8-9H,3-4,7H2,(H2,18,20)(H,19,23)(H,21,22)
InChIKeyVDPCHVOKVLCYAB-UHFFFAOYSA-N
XLogP2.62
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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]-5-chloro-2-fluorobenzamide
CID 91777823
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(1H-1,2,4-triazol-5-yl)benzamide
CID 131927854
3-(2-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 175702087
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 70715083
N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(2-fluorophenyl)acetamide
CID 110718049
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(4-hydroxyphenyl)benzamide
CID 119071037
N-(4-hydroxybutyl)-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide
CID 136554520
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 70751468
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide
CID 70756654
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(dimethylamino)-2-(3-methylphenyl)acetamide
CID 50973098
N-[(1,1-dioxothian-4-yl)methyl]-3-(2-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 118763156
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(pyrazol-1-ylmethyl)benzamide
CID 70742800

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(2-fluorophenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(2-fluorophenyl)-1H-pyrazole-5-carboxamide (CID 70776210) is N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(2-fluorophenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(2-fluorophenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(2-fluorophenyl)-1H-pyrazole-5-carboxamide is Nc1nc(CCCNC(=O)c2cc(-c3ccccc3F)n[nH]2)cs1.
What is the InChIKey of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(2-fluorophenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is VDPCHVOKVLCYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5OS/c17-12-6-2-1-5-11(12)13-8-14(22-21-13)15(23)19-7-3-4-10-9-24-16(18)20-10/h1-2,5-6,8-9H,3-4,7H2,(H2,18,20)(H,19,23)(H,21,22).
What are the key properties of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(2-fluorophenyl)-1H-pyrazole-5-carboxamide?
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(2-fluorophenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 2.62, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(2-fluorophenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 70776210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).