4-methyl-N-[2-(methylamino)ethyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide

C12H17N5OS — CID 119500921

IUPAC4-methyl-N-[2-(methylamino)ethyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
SMILESCNCCNC(=O)c1sc(-c2cnn(C)c2)nc1C
InChIInChI=1S/C12H17N5OS/c1-8-10(11(18)14-5-4-13-2)19-12(16-8)9-6-15-17(3)7-9/h6-7,13H,4-5H2,1-3H3,(H,14,18)
InChIKeyVVBFFYOKMPNPGZ-UHFFFAOYSA-N
MW279.37 g/mol
LogP0.80
Rot. Bonds5

About 4-methyl-N-[2-(methylamino)ethyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide

4-methyl-N-[2-(methylamino)ethyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide (PubChem CID 119500921) has the molecular formula C12H17N5OS and a molecular weight of 279.37 g/mol. Its IUPAC name is 4-methyl-N-[2-(methylamino)ethyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-(methylamino)ethyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
PubChem CID119500921
Molecular FormulaC12H17N5OS
Molecular Weight279.37 g/mol
Exact Mass279.12
IUPAC Name4-methyl-N-[2-(methylamino)ethyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
SMILESCNCCNC(=O)c1sc(-c2cnn(C)c2)nc1C
InChIInChI=1S/C12H17N5OS/c1-8-10(11(18)14-5-4-13-2)19-12(16-8)9-6-15-17(3)7-9/h6-7,13H,4-5H2,1-3H3,(H,14,18)
InChIKeyVVBFFYOKMPNPGZ-UHFFFAOYSA-N
XLogP0.80
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-2-methylpropyl)-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119626848
methyl 4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxylate
CID 78916354
1-[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]ethanone
CID 61059598
N-[(2-hydroxycyclopentyl)methyl]-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
CID 111471233
N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
CID 75451531
2-[1-[[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carbonyl]amino]cyclobutyl]acetic acid
CID 119217913
N-(1-aminohexan-2-yl)-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119665731
1-[[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 119176691
4-methyl-N-[2-(methylamino)ethyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119503082
N-[2-(ethylaminomethyl)phenyl]-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119439221
N-(3-amino-2,2-dimethylpropyl)-N,4-dimethyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119653466
2-(4-methoxyphenyl)-4-methyl-N-(3-piperidin-1-ylpropyl)-1,3-thiazole-5-carboxamide
CID 30540770

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(methylamino)ethyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[2-(methylamino)ethyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide (CID 119500921) is 4-methyl-N-[2-(methylamino)ethyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-(methylamino)ethyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[2-(methylamino)ethyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide is CNCCNC(=O)c1sc(-c2cnn(C)c2)nc1C.
What is the InChIKey of 4-methyl-N-[2-(methylamino)ethyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is VVBFFYOKMPNPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS/c1-8-10(11(18)14-5-4-13-2)19-12(16-8)9-6-15-17(3)7-9/h6-7,13H,4-5H2,1-3H3,(H,14,18).
What are the key properties of 4-methyl-N-[2-(methylamino)ethyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide?
4-methyl-N-[2-(methylamino)ethyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 279.37 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(methylamino)ethyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 119500921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).