1-(3-chlorophenyl)-5-(cyclopropanecarbonylamino)-N-[(2S)-1-hydroxypropan-2-yl]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide

C18H18ClN5O3S — CID 11502646

IUPAC1-(3-chlorophenyl)-5-(cyclopropanecarbonylamino)-N-[(2S)-1-hydroxypropan-2-yl]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide
SMILESC[C@@H](CO)NC(=O)c1nn(-c2cccc(Cl)c2)c2nc(NC(=O)C3CC3)sc12
InChIInChI=1S/C18H18ClN5O3S/c1-9(8-25)20-17(27)13-14-15(21-18(28-14)22-16(26)10-5-6-10)24(23-13)12-4-2-3-11(19)7-12/h2-4,7,9-10,25H,5-6,8H2,1H3,(H,20,27)(H,21,22,26)/t9-/m0/s1
InChIKeyMXHZJQDITFMVDO-VIFPVBQESA-N
MW419.89 g/mol
LogP2.59
Rot. Bonds6

About 1-(3-chlorophenyl)-5-(cyclopropanecarbonylamino)-N-[(2S)-1-hydroxypropan-2-yl]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide

1-(3-chlorophenyl)-5-(cyclopropanecarbonylamino)-N-[(2S)-1-hydroxypropan-2-yl]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide (PubChem CID 11502646) has the molecular formula C18H18ClN5O3S and a molecular weight of 419.89 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-5-(cyclopropanecarbonylamino)-N-[(2S)-1-hydroxypropan-2-yl]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-5-(cyclopropanecarbonylamino)-N-[(2S)-1-hydroxypropan-2-yl]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide
PubChem CID11502646
Molecular FormulaC18H18ClN5O3S
Molecular Weight419.89 g/mol
Exact Mass419.08
IUPAC Name1-(3-chlorophenyl)-5-(cyclopropanecarbonylamino)-N-[(2S)-1-hydroxypropan-2-yl]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide
SMILESC[C@@H](CO)NC(=O)c1nn(-c2cccc(Cl)c2)c2nc(NC(=O)C3CC3)sc12
InChIInChI=1S/C18H18ClN5O3S/c1-9(8-25)20-17(27)13-14-15(21-18(28-14)22-16(26)10-5-6-10)24(23-13)12-4-2-3-11(19)7-12/h2-4,7,9-10,25H,5-6,8H2,1H3,(H,20,27)(H,21,22,26)/t9-/m0/s1
InChIKeyMXHZJQDITFMVDO-VIFPVBQESA-N
XLogP2.59
TPSA109.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.89
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

5-(cyclopropanecarbonylamino)-N,N-dimethyl-1-phenylpyrazolo[5,4-d][1,3]thiazole-3-carboxamide
CID 11595569
5-benzamido-1-tert-butyl-N-[(2R)-1-hydroxypropan-2-yl]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide
CID 59001482
ethyl 5-(cyclopropanecarbonylamino)-1-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-d][1,3]thiazole-3-carboxylate
CID 59001408
5-(cyclopropanecarbonylamino)-N-(1-hydroxypropan-2-yl)thiophene-2-carboxamide
CID 43418626
5-(cyclopropanecarbonylamino)-N-(1-hydroxypropan-2-yl)-3-methylthiophene-2-carboxamide
CID 110887462
N-[(2S)-1-aminopropan-2-yl]-1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 120508597
1-tert-butyl-5-[(3-chlorobenzoyl)amino]-N-(2-hydroxyethyl)pyrazolo[5,4-d][1,3]thiazole-3-carboxamide
CID 59001551
3-(cyclohexanecarbonylamino)-N-(1-hydroxypropan-2-yl)benzamide
CID 78866259
N-[1-tert-butyl-3-[2-(2-hydroxyethyl)piperidine-1-carbonyl]pyrazolo[5,4-d][1,3]thiazol-5-yl]-3-chlorobenzamide
CID 59001284
(3R)-1-[1-(3-chlorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 95091038
1-(3-chlorophenyl)-3-cyclopropyl-5-ethyl-N-propan-2-ylpyrazole-4-carboxamide
CID 42820477
N-[1-tert-butyl-3-(pyrrolidine-1-carbonyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]-3-chlorobenzamide
CID 59001282

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-5-(cyclopropanecarbonylamino)-N-[(2S)-1-hydroxypropan-2-yl]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-5-(cyclopropanecarbonylamino)-N-[(2S)-1-hydroxypropan-2-yl]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide (CID 11502646) is 1-(3-chlorophenyl)-5-(cyclopropanecarbonylamino)-N-[(2S)-1-hydroxypropan-2-yl]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-5-(cyclopropanecarbonylamino)-N-[(2S)-1-hydroxypropan-2-yl]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-5-(cyclopropanecarbonylamino)-N-[(2S)-1-hydroxypropan-2-yl]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide is C[C@@H](CO)NC(=O)c1nn(-c2cccc(Cl)c2)c2nc(NC(=O)C3CC3)sc12.
What is the InChIKey of 1-(3-chlorophenyl)-5-(cyclopropanecarbonylamino)-N-[(2S)-1-hydroxypropan-2-yl]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide?
The InChIKey is MXHZJQDITFMVDO-VIFPVBQESA-N. The full InChI is InChI=1S/C18H18ClN5O3S/c1-9(8-25)20-17(27)13-14-15(21-18(28-14)22-16(26)10-5-6-10)24(23-13)12-4-2-3-11(19)7-12/h2-4,7,9-10,25H,5-6,8H2,1H3,(H,20,27)(H,21,22,26)/t9-/m0/s1.
What are the key properties of 1-(3-chlorophenyl)-5-(cyclopropanecarbonylamino)-N-[(2S)-1-hydroxypropan-2-yl]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide?
1-(3-chlorophenyl)-5-(cyclopropanecarbonylamino)-N-[(2S)-1-hydroxypropan-2-yl]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide has a molecular weight of 419.89 g/mol, XLogP of 2.59, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-5-(cyclopropanecarbonylamino)-N-[(2S)-1-hydroxypropan-2-yl]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 11502646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).