N-[4-(aminomethyl)-1-methylpyrazol-5-yl]-3-phenyl-1,2-thiazole-5-carboxamide

C15H15N5OS — CID 167970394

IUPACN-[4-(aminomethyl)-1-methylpyrazol-5-yl]-3-phenyl-1,2-thiazole-5-carboxamide
SMILESCn1ncc(CN)c1NC(=O)c1cc(-c2ccccc2)ns1
InChIInChI=1S/C15H15N5OS/c1-20-14(11(8-16)9-17-20)18-15(21)13-7-12(19-22-13)10-5-3-2-4-6-10/h2-7,9H,8,16H2,1H3,(H,18,21)
InChIKeyKLNKGPIKVIYQTC-UHFFFAOYSA-N
MW313.39 g/mol
LogP2.25
Rot. Bonds4

About N-[4-(aminomethyl)-1-methylpyrazol-5-yl]-3-phenyl-1,2-thiazole-5-carboxamide

N-[4-(aminomethyl)-1-methylpyrazol-5-yl]-3-phenyl-1,2-thiazole-5-carboxamide (PubChem CID 167970394) has the molecular formula C15H15N5OS and a molecular weight of 313.39 g/mol. Its IUPAC name is N-[4-(aminomethyl)-1-methylpyrazol-5-yl]-3-phenyl-1,2-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-1-methylpyrazol-5-yl]-3-phenyl-1,2-thiazole-5-carboxamide
PubChem CID167970394
Molecular FormulaC15H15N5OS
Molecular Weight313.39 g/mol
Exact Mass313.10
IUPAC NameN-[4-(aminomethyl)-1-methylpyrazol-5-yl]-3-phenyl-1,2-thiazole-5-carboxamide
SMILESCn1ncc(CN)c1NC(=O)c1cc(-c2ccccc2)ns1
InChIInChI=1S/C15H15N5OS/c1-20-14(11(8-16)9-17-20)18-15(21)13-7-12(19-22-13)10-5-3-2-4-6-10/h2-7,9H,8,16H2,1H3,(H,18,21)
InChIKeyKLNKGPIKVIYQTC-UHFFFAOYSA-N
XLogP2.25
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-{1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)-2-methylbenzamide
CID 24791098
N-[2-[1-[(3-methyl-1-propyl-4-pyrazolyl)methyl]-4-piperidinyl]-3-pyrazolyl]benzamide
CID 24791804
N-(1-methyl-3-phenyl-1H-pyrazol-5-yl)-2-thiophenecarboxamide
CID 2814958
N-(1-{1-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)-3-fluorobenzamide
CID 24817394
US10118930, Example 373
CID 137018669
N-(1-{1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)-3-fluorobenzamide
CID 24791403
N-(2-benzylpyrazol-3-yl)-1-tert-butyl-5-methylpyrazole-4-carboxamide
CID 47037212
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 49079499
4-methyl-N-(1-methyl-3-phenylpyrazol-5-yl)thiadiazole-5-carboxamide
CID 2814959
N-(1-methyl-3-phenylpyrazol-5-yl)-1-phenyl-5-propylpyrazole-4-carboxamide
CID 2815260
N-(3-methylisothiazol-5-yl)-3-(1H-tetrazol-1-yl)benzamide
CID 45505555
N-(1-ethyl-1H-pyrazol-5-yl)-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide
CID 25175811

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-1-methylpyrazol-5-yl]-3-phenyl-1,2-thiazole-5-carboxamide?
The IUPAC name of N-[4-(aminomethyl)-1-methylpyrazol-5-yl]-3-phenyl-1,2-thiazole-5-carboxamide (CID 167970394) is N-[4-(aminomethyl)-1-methylpyrazol-5-yl]-3-phenyl-1,2-thiazole-5-carboxamide.
What is the SMILES notation for N-[4-(aminomethyl)-1-methylpyrazol-5-yl]-3-phenyl-1,2-thiazole-5-carboxamide?
The canonical SMILES for N-[4-(aminomethyl)-1-methylpyrazol-5-yl]-3-phenyl-1,2-thiazole-5-carboxamide is Cn1ncc(CN)c1NC(=O)c1cc(-c2ccccc2)ns1.
What is the InChIKey of N-[4-(aminomethyl)-1-methylpyrazol-5-yl]-3-phenyl-1,2-thiazole-5-carboxamide?
The InChIKey is KLNKGPIKVIYQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5OS/c1-20-14(11(8-16)9-17-20)18-15(21)13-7-12(19-22-13)10-5-3-2-4-6-10/h2-7,9H,8,16H2,1H3,(H,18,21).
What are the key properties of N-[4-(aminomethyl)-1-methylpyrazol-5-yl]-3-phenyl-1,2-thiazole-5-carboxamide?
N-[4-(aminomethyl)-1-methylpyrazol-5-yl]-3-phenyl-1,2-thiazole-5-carboxamide has a molecular weight of 313.39 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-1-methylpyrazol-5-yl]-3-phenyl-1,2-thiazole-5-carboxamide is sourced from PubChem (CID 167970394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).