4-amino-1-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyrazole-3-carboxamide

C9H11N5O2S — CID 114181186

IUPAC4-amino-1-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyrazole-3-carboxamide
SMILESCn1cc(N)c(C(=O)NCc2csc(=O)[nH]2)n1
InChIInChI=1S/C9H11N5O2S/c1-14-3-6(10)7(13-14)8(15)11-2-5-4-17-9(16)12-5/h3-4H,2,10H2,1H3,(H,11,15)(H,12,16)
InChIKeyVBWCZEDCTHSUGP-UHFFFAOYSA-N
MW253.29 g/mol
LogP-0.32
Rot. Bonds3

About 4-amino-1-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyrazole-3-carboxamide

4-amino-1-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyrazole-3-carboxamide (PubChem CID 114181186) has the molecular formula C9H11N5O2S and a molecular weight of 253.29 g/mol. Its IUPAC name is 4-amino-1-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyrazole-3-carboxamide
PubChem CID114181186
Molecular FormulaC9H11N5O2S
Molecular Weight253.29 g/mol
Exact Mass253.06
IUPAC Name4-amino-1-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyrazole-3-carboxamide
SMILESCn1cc(N)c(C(=O)NCc2csc(=O)[nH]2)n1
InChIInChI=1S/C9H11N5O2S/c1-14-3-6(10)7(13-14)8(15)11-2-5-4-17-9(16)12-5/h3-4H,2,10H2,1H3,(H,11,15)(H,12,16)
InChIKeyVBWCZEDCTHSUGP-UHFFFAOYSA-N
XLogP-0.32
TPSA105.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-1-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyrazole-5-carboxamide
CID 106379173
5-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide
CID 106379186
2-amino-5-bromo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
CID 106382415
4-amino-N-but-3-ynyl-1-methylpyrazole-3-carboxamide
CID 65355592
N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide
CID 103775054
4-amino-1-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
CID 65353862
2-amino-5-fluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
CID 114181175
2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide
CID 114181779
4-amino-N-(2,2-difluoroethyl)-1-methylpyrazole-3-carboxamide
CID 115405230
4-amino-N-[2-(dimethylamino)-2-methylpropyl]-1-methylpyrazole-3-carboxamide
CID 65354139
4-amino-N-(2-ethoxyethyl)-1-methylpyrazole-3-carboxamide
CID 65354874
2-(1-aminoethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 106381203

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyrazole-3-carboxamide (CID 114181186) is 4-amino-1-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyrazole-3-carboxamide is Cn1cc(N)c(C(=O)NCc2csc(=O)[nH]2)n1.
What is the InChIKey of 4-amino-1-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is VBWCZEDCTHSUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2S/c1-14-3-6(10)7(13-14)8(15)11-2-5-4-17-9(16)12-5/h3-4H,2,10H2,1H3,(H,11,15)(H,12,16).
What are the key properties of 4-amino-1-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyrazole-3-carboxamide?
4-amino-1-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 253.29 g/mol, XLogP of -0.32, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 114181186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).