N-[2-[(1S)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide

C17H24N6OS — CID 97275257

IUPACN-[2-[(1S)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCN(c3nccs3)CC2)n([C@@H](C)C2CC2)n1
InChIInChI=1S/C17H24N6OS/c1-12-11-15(23(20-12)13(2)14-3-4-14)19-16(24)21-6-8-22(9-7-21)17-18-5-10-25-17/h5,10-11,13-14H,3-4,6-9H2,1-2H3,(H,19,24)/t13-/m0/s1
InChIKeyVWTBSJJGOYGJDU-ZDUSSCGKSA-N
MW360.49 g/mol
LogP2.97
Rot. Bonds4

About N-[2-[(1S)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide

N-[2-[(1S)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide (PubChem CID 97275257) has the molecular formula C17H24N6OS and a molecular weight of 360.49 g/mol. Its IUPAC name is N-[2-[(1S)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[(1S)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
PubChem CID97275257
Molecular FormulaC17H24N6OS
Molecular Weight360.49 g/mol
Exact Mass360.17
IUPAC NameN-[2-[(1S)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCN(c3nccs3)CC2)n([C@@H](C)C2CC2)n1
InChIInChI=1S/C17H24N6OS/c1-12-11-15(23(20-12)13(2)14-3-4-14)19-16(24)21-6-8-22(9-7-21)17-18-5-10-25-17/h5,10-11,13-14H,3-4,6-9H2,1-2H3,(H,19,24)/t13-/m0/s1
InChIKeyVWTBSJJGOYGJDU-ZDUSSCGKSA-N
XLogP2.97
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.49
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[(1S)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide with MolForge

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Related Compounds

N-[2-[(1R)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 97275258
N-[2-[(1S)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 125171218
3-[2-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-1-(2-hydroxyethyl)-1-(1,3-thiazol-2-ylmethyl)urea
CID 118786270
1-[[2-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 134700003
N-(4-aminophenyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 43468985
cyclopropyl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 53498835
2-(propan-2-ylamino)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 60841085
N-(2,5-dichlorophenyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 47031878
N-[1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-yl]acetamide
CID 24645578
4-(4-methyl-1,3-thiazol-2-yl)-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 47193079
ethyl 2-[[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]amino]acetate
CID 43445563
4-(cyclopropanecarbonyl)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-1,4-diazepane-1-carboxamide
CID 119034514

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1S)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide?
The IUPAC name of N-[2-[(1S)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide (CID 97275257) is N-[2-[(1S)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-[2-[(1S)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide?
The canonical SMILES for N-[2-[(1S)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide is Cc1cc(NC(=O)N2CCN(c3nccs3)CC2)n([C@@H](C)C2CC2)n1.
What is the InChIKey of N-[2-[(1S)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide?
The InChIKey is VWTBSJJGOYGJDU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H24N6OS/c1-12-11-15(23(20-12)13(2)14-3-4-14)19-16(24)21-6-8-22(9-7-21)17-18-5-10-25-17/h5,10-11,13-14H,3-4,6-9H2,1-2H3,(H,19,24)/t13-/m0/s1.
What are the key properties of N-[2-[(1S)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide?
N-[2-[(1S)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide has a molecular weight of 360.49 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1S)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 97275257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).