N-[4-(aminomethyl)-1,3-thiazol-2-yl]-1H-pyrazole-5-carboxamide

C8H9N5OS — CID 56649133

IUPACN-[4-(aminomethyl)-1,3-thiazol-2-yl]-1H-pyrazole-5-carboxamide
SMILESNCc1csc(NC(=O)c2ccn[nH]2)n1
InChIInChI=1S/C8H9N5OS/c9-3-5-4-15-8(11-5)12-7(14)6-1-2-10-13-6/h1-2,4H,3,9H2,(H,10,13)(H,11,12,14)
InChIKeyGUETXQRBLLAYEO-UHFFFAOYSA-N
MW223.26 g/mol
LogP0.58
Rot. Bonds3

About N-[4-(aminomethyl)-1,3-thiazol-2-yl]-1H-pyrazole-5-carboxamide

N-[4-(aminomethyl)-1,3-thiazol-2-yl]-1H-pyrazole-5-carboxamide (PubChem CID 56649133) has the molecular formula C8H9N5OS and a molecular weight of 223.26 g/mol. Its IUPAC name is N-[4-(aminomethyl)-1,3-thiazol-2-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-1,3-thiazol-2-yl]-1H-pyrazole-5-carboxamide
PubChem CID56649133
Molecular FormulaC8H9N5OS
Molecular Weight223.26 g/mol
Exact Mass223.05
IUPAC NameN-[4-(aminomethyl)-1,3-thiazol-2-yl]-1H-pyrazole-5-carboxamide
SMILESNCc1csc(NC(=O)c2ccn[nH]2)n1
InChIInChI=1S/C8H9N5OS/c9-3-5-4-15-8(11-5)12-7(14)6-1-2-10-13-6/h1-2,4H,3,9H2,(H,10,13)(H,11,12,14)
InChIKeyGUETXQRBLLAYEO-UHFFFAOYSA-N
XLogP0.58
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-N-(5-methylthiazol-2-yl)-1H-pyrazole-3-carboxamide
CID 6464339
N-(5-chloro-1,3-thiazol-2-yl)-1H-pyrazole-3-carboxamide
CID 71864212
1-ethyl-N-(thiazol-2-yl)-1H-pyrazole-5-carboxamide
CID 649902
2-methyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide
CID 903234
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide
CID 45830775
N-(5-methyl-1,3-thiazol-2-yl)-2-propylpyrazole-3-carboxamide
CID 35522280
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-propylpyrazole-3-carboxamide
CID 35532575
1-Ethyl-N-(thiazol-2-yl)-1H-pyrazole-3-carboxamide
CID 891818
N-(1,3-thiazol-2-yl)-1H-pyrazole-3-carboxamide
CID 19577248
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methyl-1H-pyrazole-5-carboxamide
CID 17144276
N-[(4-ethenyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-5-carboxamide
CID 177700548
N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-5-carboxamide
CID 177700550

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-1,3-thiazol-2-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[4-(aminomethyl)-1,3-thiazol-2-yl]-1H-pyrazole-5-carboxamide (CID 56649133) is N-[4-(aminomethyl)-1,3-thiazol-2-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[4-(aminomethyl)-1,3-thiazol-2-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[4-(aminomethyl)-1,3-thiazol-2-yl]-1H-pyrazole-5-carboxamide is NCc1csc(NC(=O)c2ccn[nH]2)n1.
What is the InChIKey of N-[4-(aminomethyl)-1,3-thiazol-2-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is GUETXQRBLLAYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5OS/c9-3-5-4-15-8(11-5)12-7(14)6-1-2-10-13-6/h1-2,4H,3,9H2,(H,10,13)(H,11,12,14).
What are the key properties of N-[4-(aminomethyl)-1,3-thiazol-2-yl]-1H-pyrazole-5-carboxamide?
N-[4-(aminomethyl)-1,3-thiazol-2-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 223.26 g/mol, XLogP of 0.58, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-1,3-thiazol-2-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 56649133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).