N-cyclohexyl-5-(cyclopropanecarbonylamino)-2H-pyrazolo[3,4-d][1,3]thiazole-3-carboxamide

C15H19N5O2S — CID 11624136

IUPACN-cyclohexyl-5-(cyclopropanecarbonylamino)-2H-pyrazolo[3,4-d][1,3]thiazole-3-carboxamide
SMILESO=C(NC1CCCCC1)c1[nH]nc2nc(NC(=O)C3CC3)sc12
InChIInChI=1S/C15H19N5O2S/c21-13(8-6-7-8)18-15-17-12-11(23-15)10(19-20-12)14(22)16-9-4-2-1-3-5-9/h8-9H,1-7H2,(H,16,22)(H2,17,18,19,20,21)
InChIKeyNCSPJSUQDDJTPD-UHFFFAOYSA-N
MW333.42 g/mol
LogP2.43
Rot. Bonds4

About N-cyclohexyl-5-(cyclopropanecarbonylamino)-2H-pyrazolo[3,4-d][1,3]thiazole-3-carboxamide

N-cyclohexyl-5-(cyclopropanecarbonylamino)-2H-pyrazolo[3,4-d][1,3]thiazole-3-carboxamide (PubChem CID 11624136) has the molecular formula C15H19N5O2S and a molecular weight of 333.42 g/mol. Its IUPAC name is N-cyclohexyl-5-(cyclopropanecarbonylamino)-2H-pyrazolo[3,4-d][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-(cyclopropanecarbonylamino)-2H-pyrazolo[3,4-d][1,3]thiazole-3-carboxamide
PubChem CID11624136
Molecular FormulaC15H19N5O2S
Molecular Weight333.42 g/mol
Exact Mass333.13
IUPAC NameN-cyclohexyl-5-(cyclopropanecarbonylamino)-2H-pyrazolo[3,4-d][1,3]thiazole-3-carboxamide
SMILESO=C(NC1CCCCC1)c1[nH]nc2nc(NC(=O)C3CC3)sc12
InChIInChI=1S/C15H19N5O2S/c21-13(8-6-7-8)18-15-17-12-11(23-15)10(19-20-12)14(22)16-9-4-2-1-3-5-9/h8-9H,1-7H2,(H,16,22)(H2,17,18,19,20,21)
InChIKeyNCSPJSUQDDJTPD-UHFFFAOYSA-N
XLogP2.43
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(cyclopropanecarbonylamino)-N-(2-hydroxyethyl)-2H-pyrazolo[3,4-d][1,3]thiazole-3-carboxamide
CID 11594526
N-[3-(piperidine-1-carbonyl)-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
CID 11602174
N-(3-amino-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl)cyclopropanecarboxamide
CID 58925660
N-[5-(cyclopropanecarbonylamino)-2H-pyrazolo[3,4-d][1,3]thiazol-3-yl]benzamide
CID 58925692
N-[5-(cyclopropanecarbonylamino)-2H-pyrazolo[3,4-d][1,3]thiazol-3-yl]pyridine-3-carboxamide
CID 58925856
N-[3-[(2-phenoxyacetyl)amino]-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
CID 58925663
1-N,4-N-dicyclohexylcyclohexane-1,4-dicarboxamide
CID 2982201
N-(5,7-dimethyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)cyclohexanecarboxamide
CID 42100024
N-[4-[2-(cycloheptylamino)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 41228156
1-(1,3-benzothiazol-2-yl)-3-cycloheptylurea
CID 30264876
N-[3-[[2-[3-(iodomethyl)phenoxy]acetyl]amino]-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
CID 89347189
N-cyclodecylcyclododecanecarboxamide
CID 135182352

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-(cyclopropanecarbonylamino)-2H-pyrazolo[3,4-d][1,3]thiazole-3-carboxamide?
The IUPAC name of N-cyclohexyl-5-(cyclopropanecarbonylamino)-2H-pyrazolo[3,4-d][1,3]thiazole-3-carboxamide (CID 11624136) is N-cyclohexyl-5-(cyclopropanecarbonylamino)-2H-pyrazolo[3,4-d][1,3]thiazole-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-(cyclopropanecarbonylamino)-2H-pyrazolo[3,4-d][1,3]thiazole-3-carboxamide?
The canonical SMILES for N-cyclohexyl-5-(cyclopropanecarbonylamino)-2H-pyrazolo[3,4-d][1,3]thiazole-3-carboxamide is O=C(NC1CCCCC1)c1[nH]nc2nc(NC(=O)C3CC3)sc12.
What is the InChIKey of N-cyclohexyl-5-(cyclopropanecarbonylamino)-2H-pyrazolo[3,4-d][1,3]thiazole-3-carboxamide?
The InChIKey is NCSPJSUQDDJTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2S/c21-13(8-6-7-8)18-15-17-12-11(23-15)10(19-20-12)14(22)16-9-4-2-1-3-5-9/h8-9H,1-7H2,(H,16,22)(H2,17,18,19,20,21).
What are the key properties of N-cyclohexyl-5-(cyclopropanecarbonylamino)-2H-pyrazolo[3,4-d][1,3]thiazole-3-carboxamide?
N-cyclohexyl-5-(cyclopropanecarbonylamino)-2H-pyrazolo[3,4-d][1,3]thiazole-3-carboxamide has a molecular weight of 333.42 g/mol, XLogP of 2.43, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-(cyclopropanecarbonylamino)-2H-pyrazolo[3,4-d][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 11624136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).