N-phenyl-1,3-benzothiazol-2-amine;1H-pyrazole-5-carboxamide

C17H15N5OS — CID 174676859

IUPACN-phenyl-1,3-benzothiazol-2-amine;1H-pyrazole-5-carboxamide
SMILESNC(=O)c1ccn[nH]1.c1ccc(Nc2nc3ccccc3s2)cc1
InChIInChI=1S/C13H10N2S.C4H5N3O/c1-2-6-10(7-3-1)14-13-15-11-8-4-5-9-12(11)16-13;5-4(8)3-1-2-6-7-3/h1-9H,(H,14,15);1-2H,(H2,5,8)(H,6,7)
InChIKeyFIMHOGNOYMIJBF-UHFFFAOYSA-N
MW337.41 g/mol
LogP3.55
Rot. Bonds3

About N-phenyl-1,3-benzothiazol-2-amine;1H-pyrazole-5-carboxamide

N-phenyl-1,3-benzothiazol-2-amine;1H-pyrazole-5-carboxamide (PubChem CID 174676859) has the molecular formula C17H15N5OS and a molecular weight of 337.41 g/mol. Its IUPAC name is N-phenyl-1,3-benzothiazol-2-amine;1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-phenyl-1,3-benzothiazol-2-amine;1H-pyrazole-5-carboxamide
PubChem CID174676859
Molecular FormulaC17H15N5OS
Molecular Weight337.41 g/mol
Exact Mass337.10
IUPAC NameN-phenyl-1,3-benzothiazol-2-amine;1H-pyrazole-5-carboxamide
SMILESNC(=O)c1ccn[nH]1.c1ccc(Nc2nc3ccccc3s2)cc1
InChIInChI=1S/C13H10N2S.C4H5N3O/c1-2-6-10(7-3-1)14-13-15-11-8-4-5-9-12(11)16-13;5-4(8)3-1-2-6-7-3/h1-9H,(H,14,15);1-2H,(H2,5,8)(H,6,7)
InChIKeyFIMHOGNOYMIJBF-UHFFFAOYSA-N
XLogP3.55
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1,3-benzothiazol-2-ylamino)benzamide
CID 103602868
N-(4-propan-2-ylphenyl)-1,3-benzothiazol-2-amine
CID 2360618
N-[4-[[4-(1,3-benzothiazol-2-ylamino)phenyl]methyl]phenyl]-1,3-benzothiazol-2-amine
CID 14688876
N,N'-bis(1,3-benzothiazol-2-yl)oxamide
CID 591706
methyl (2S)-2-(1,3-benzothiazol-2-ylamino)propanoate
CID 6991162
3-(1,3-benzothiazol-2-ylamino)benzenesulfonamide
CID 29067972
oxygen(2-);1H-pyrazole-5-carboxamide;bis(pyridin-1-ium)
CID 173493478
N-pyrimidin-2-yl-1,3-benzothiazol-2-amine
CID 25239704
N-phenyl-1H-pyrazole-5-carboxamide
CID 680935
1-[4-(1,3-benzothiazol-2-ylamino)phenyl]-3-(1H-pyrazol-4-ylmethyl)urea
CID 135222667
N-naphthalen-2-yl-1,3-benzothiazol-2-amine
CID 54164580
3-amino-N-(1,3-benzothiazol-2-yl)-3-sulfanylidenepropanamide
CID 43120469

Frequently Asked Questions

What is the IUPAC name of N-phenyl-1,3-benzothiazol-2-amine;1H-pyrazole-5-carboxamide?
The IUPAC name of N-phenyl-1,3-benzothiazol-2-amine;1H-pyrazole-5-carboxamide (CID 174676859) is N-phenyl-1,3-benzothiazol-2-amine;1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-phenyl-1,3-benzothiazol-2-amine;1H-pyrazole-5-carboxamide?
The canonical SMILES for N-phenyl-1,3-benzothiazol-2-amine;1H-pyrazole-5-carboxamide is NC(=O)c1ccn[nH]1.c1ccc(Nc2nc3ccccc3s2)cc1.
What is the InChIKey of N-phenyl-1,3-benzothiazol-2-amine;1H-pyrazole-5-carboxamide?
The InChIKey is FIMHOGNOYMIJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2S.C4H5N3O/c1-2-6-10(7-3-1)14-13-15-11-8-4-5-9-12(11)16-13;5-4(8)3-1-2-6-7-3/h1-9H,(H,14,15);1-2H,(H2,5,8)(H,6,7).
What are the key properties of N-phenyl-1,3-benzothiazol-2-amine;1H-pyrazole-5-carboxamide?
N-phenyl-1,3-benzothiazol-2-amine;1H-pyrazole-5-carboxamide has a molecular weight of 337.41 g/mol, XLogP of 3.55, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1,3-benzothiazol-2-amine;1H-pyrazole-5-carboxamide is sourced from PubChem (CID 174676859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).