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

C16H17N5OS — CID 118715031

IUPACN-[4-(aminomethyl)-1,3-thiazol-2-yl]-2-benzyl-5-methylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2nc(CN)cs2)n(Cc2ccccc2)n1
InChIInChI=1S/C16H17N5OS/c1-11-7-14(15(22)19-16-18-13(8-17)10-23-16)21(20-11)9-12-5-3-2-4-6-12/h2-7,10H,8-9,17H2,1H3,(H,18,19,22)
InChIKeyJTDFAXVSIPTXBE-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.41
Rot. Bonds5

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

N-[4-(aminomethyl)-1,3-thiazol-2-yl]-2-benzyl-5-methylpyrazole-3-carboxamide (PubChem CID 118715031) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is N-[4-(aminomethyl)-1,3-thiazol-2-yl]-2-benzyl-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-1,3-thiazol-2-yl]-2-benzyl-5-methylpyrazole-3-carboxamide
PubChem CID118715031
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC NameN-[4-(aminomethyl)-1,3-thiazol-2-yl]-2-benzyl-5-methylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2nc(CN)cs2)n(Cc2ccccc2)n1
InChIInChI=1S/C16H17N5OS/c1-11-7-14(15(22)19-16-18-13(8-17)10-23-16)21(20-11)9-12-5-3-2-4-6-12/h2-7,10H,8-9,17H2,1H3,(H,18,19,22)
InChIKeyJTDFAXVSIPTXBE-UHFFFAOYSA-N
XLogP2.41
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-1,3-thiazole-4-carboxylate
CID 42111324
2-[(4-chlorophenyl)methyl]-5-methylpyrazole-3-carbohydrazide
CID 5239334
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-1,3-diphenylpyrazole-5-carboxamide
CID 17465456
1-benzyl-5-chloro-3-methyl-N-[4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide
CID 176858961
N-[4-(2-phenylethyl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 154695420
N-[4-[2-(N-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 46483651
N-[3-(aminomethyl)phenyl]-1-benzyl-3-tert-butylpyrazole-5-carboxamide
CID 56649047
N-(2-benzyl-5-methylpyrazol-3-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 55551514
1-benzyl-5-chloro-N-[4-(4,6-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide
CID 176859819
1-benzyl-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-6-oxopyridazine-3-carboxamide
CID 16549936
1-methyl-3-N,5-N-bis(4-phenyl-1,3-thiazol-2-yl)pyrazole-3,5-dicarboxamide
CID 44824119
2-(3,5-dimethylpyrazol-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 800348

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-1,3-thiazol-2-yl]-2-benzyl-5-methylpyrazole-3-carboxamide?
The IUPAC name of N-[4-(aminomethyl)-1,3-thiazol-2-yl]-2-benzyl-5-methylpyrazole-3-carboxamide (CID 118715031) is N-[4-(aminomethyl)-1,3-thiazol-2-yl]-2-benzyl-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[4-(aminomethyl)-1,3-thiazol-2-yl]-2-benzyl-5-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[4-(aminomethyl)-1,3-thiazol-2-yl]-2-benzyl-5-methylpyrazole-3-carboxamide is Cc1cc(C(=O)Nc2nc(CN)cs2)n(Cc2ccccc2)n1.
What is the InChIKey of N-[4-(aminomethyl)-1,3-thiazol-2-yl]-2-benzyl-5-methylpyrazole-3-carboxamide?
The InChIKey is JTDFAXVSIPTXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS/c1-11-7-14(15(22)19-16-18-13(8-17)10-23-16)21(20-11)9-12-5-3-2-4-6-12/h2-7,10H,8-9,17H2,1H3,(H,18,19,22).
What are the key properties of N-[4-(aminomethyl)-1,3-thiazol-2-yl]-2-benzyl-5-methylpyrazole-3-carboxamide?
N-[4-(aminomethyl)-1,3-thiazol-2-yl]-2-benzyl-5-methylpyrazole-3-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-1,3-thiazol-2-yl]-2-benzyl-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 118715031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).