N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide

C16H22N4OS — CID 50975850

IUPACN-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)NCCc2nc3c(s2)CCC3)n(C)n1
InChIInChI=1S/C16H22N4OS/c1-10(2)12-9-13(20(3)19-12)16(21)17-8-7-15-18-11-5-4-6-14(11)22-15/h9-10H,4-8H2,1-3H3,(H,17,21)
InChIKeyWTAGIVJCTWWKBF-UHFFFAOYSA-N
MW318.45 g/mol
LogP2.46
Rot. Bonds5

About N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide

N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide (PubChem CID 50975850) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
PubChem CID50975850
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC NameN-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)NCCc2nc3c(s2)CCC3)n(C)n1
InChIInChI=1S/C16H22N4OS/c1-10(2)12-9-13(20(3)19-12)16(21)17-8-7-15-18-11-5-4-6-14(11)22-15/h9-10H,4-8H2,1-3H3,(H,17,21)
InChIKeyWTAGIVJCTWWKBF-UHFFFAOYSA-N
XLogP2.46
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-1-isobutyl-5-[(2-methyl-1,3-thiazol-4-yl)carbonyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26146434
2,5-dimethyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyrazole-3-carboxamide
CID 53611504
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-isopropyl-1-methyl-1H-pyrazole-5-carboxamide
CID 70712275
[2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 72145425
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-5-ethyl-2,4-dimethylpyrazole-3-carboxamide
CID 46966625
5-cyclopropyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-3-carboxamide
CID 47290731
N-isopropyl-3-{5-[(2-methyl-1,3-thiazol-4-yl)carbonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl}propanamide
CID 72925446
N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide
CID 77093306
3-(difluoromethyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-methyl-1H-pyrazole-5-carboxamide
CID 124215056
N-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carboxamide
CID 164637842
N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-ethyl-N,5-dimethylpyrazole-3-carboxamide
CID 164640496
1,5-dimethyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrazole-3-carboxamide
CID 71985934

Frequently Asked Questions

What is the IUPAC name of N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide?
The IUPAC name of N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide (CID 50975850) is N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide?
The canonical SMILES for N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide is CC(C)c1cc(C(=O)NCCc2nc3c(s2)CCC3)n(C)n1.
What is the InChIKey of N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide?
The InChIKey is WTAGIVJCTWWKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-10(2)12-9-13(20(3)19-12)16(21)17-8-7-15-18-11-5-4-6-14(11)22-15/h9-10H,4-8H2,1-3H3,(H,17,21).
What are the key properties of N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide?
N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 318.45 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 50975850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).