5-(cyclopropanecarbonylamino)-N,N-dimethyl-1-phenylpyrazolo[5,4-d][1,3]thiazole-3-carboxamide

C17H17N5O2S — CID 11595569

IUPAC5-(cyclopropanecarbonylamino)-N,N-dimethyl-1-phenylpyrazolo[5,4-d][1,3]thiazole-3-carboxamide
SMILESCN(C)C(=O)c1nn(-c2ccccc2)c2nc(NC(=O)C3CC3)sc12
InChIInChI=1S/C17H17N5O2S/c1-21(2)16(24)12-13-14(22(20-12)11-6-4-3-5-7-11)18-17(25-13)19-15(23)10-8-9-10/h3-7,10H,8-9H2,1-2H3,(H,18,19,23)
InChIKeyOUEHFCXEVXUOEZ-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.53
Rot. Bonds4

About 5-(cyclopropanecarbonylamino)-N,N-dimethyl-1-phenylpyrazolo[5,4-d][1,3]thiazole-3-carboxamide

5-(cyclopropanecarbonylamino)-N,N-dimethyl-1-phenylpyrazolo[5,4-d][1,3]thiazole-3-carboxamide (PubChem CID 11595569) has the molecular formula C17H17N5O2S and a molecular weight of 355.42 g/mol. Its IUPAC name is 5-(cyclopropanecarbonylamino)-N,N-dimethyl-1-phenylpyrazolo[5,4-d][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound Name5-(cyclopropanecarbonylamino)-N,N-dimethyl-1-phenylpyrazolo[5,4-d][1,3]thiazole-3-carboxamide
PubChem CID11595569
Molecular FormulaC17H17N5O2S
Molecular Weight355.42 g/mol
Exact Mass355.11
IUPAC Name5-(cyclopropanecarbonylamino)-N,N-dimethyl-1-phenylpyrazolo[5,4-d][1,3]thiazole-3-carboxamide
SMILESCN(C)C(=O)c1nn(-c2ccccc2)c2nc(NC(=O)C3CC3)sc12
InChIInChI=1S/C17H17N5O2S/c1-21(2)16(24)12-13-14(22(20-12)11-6-4-3-5-7-11)18-17(25-13)19-15(23)10-8-9-10/h3-7,10H,8-9H2,1-2H3,(H,18,19,23)
InChIKeyOUEHFCXEVXUOEZ-UHFFFAOYSA-N
XLogP2.53
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-chlorophenyl)-5-(cyclopropanecarbonylamino)-N-[(2S)-1-hydroxypropan-2-yl]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide
CID 11502646
ethyl 5-(cyclopropanecarbonylamino)-1-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-d][1,3]thiazole-3-carboxylate
CID 59001408
3-(cyclopropanecarbonylamino)-N-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 171099209
N'-(cyclopropanecarbonyl)-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
CID 2448076
5-(cyclopropanecarbonylamino)-N,N-diethyl-1-phenylpyrazole-4-carboxamide
CID 108746029
1-N,4-N-bis(1,3-benzothiazol-2-yl)cyclohexane-1,4-dicarboxamide
CID 171722456
ethyl 4-(cyclopropanecarbonylamino)-6-oxo-1-phenylpyridazine-3-carboxylate
CID 16839249
N-[4-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]amino]phenyl]cyclopropanecarboxamide
CID 26059043
N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 39001874
2-(cyclopentanecarbonylamino)-N,N-dimethylbenzamide
CID 39233266
N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 31519206
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)oxane-4-carboxamide
CID 51279535

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropanecarbonylamino)-N,N-dimethyl-1-phenylpyrazolo[5,4-d][1,3]thiazole-3-carboxamide?
The IUPAC name of 5-(cyclopropanecarbonylamino)-N,N-dimethyl-1-phenylpyrazolo[5,4-d][1,3]thiazole-3-carboxamide (CID 11595569) is 5-(cyclopropanecarbonylamino)-N,N-dimethyl-1-phenylpyrazolo[5,4-d][1,3]thiazole-3-carboxamide.
What is the SMILES notation for 5-(cyclopropanecarbonylamino)-N,N-dimethyl-1-phenylpyrazolo[5,4-d][1,3]thiazole-3-carboxamide?
The canonical SMILES for 5-(cyclopropanecarbonylamino)-N,N-dimethyl-1-phenylpyrazolo[5,4-d][1,3]thiazole-3-carboxamide is CN(C)C(=O)c1nn(-c2ccccc2)c2nc(NC(=O)C3CC3)sc12.
What is the InChIKey of 5-(cyclopropanecarbonylamino)-N,N-dimethyl-1-phenylpyrazolo[5,4-d][1,3]thiazole-3-carboxamide?
The InChIKey is OUEHFCXEVXUOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2S/c1-21(2)16(24)12-13-14(22(20-12)11-6-4-3-5-7-11)18-17(25-13)19-15(23)10-8-9-10/h3-7,10H,8-9H2,1-2H3,(H,18,19,23).
What are the key properties of 5-(cyclopropanecarbonylamino)-N,N-dimethyl-1-phenylpyrazolo[5,4-d][1,3]thiazole-3-carboxamide?
5-(cyclopropanecarbonylamino)-N,N-dimethyl-1-phenylpyrazolo[5,4-d][1,3]thiazole-3-carboxamide has a molecular weight of 355.42 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropanecarbonylamino)-N,N-dimethyl-1-phenylpyrazolo[5,4-d][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 11595569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).