N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1-methylpyrazol-4-yl)propanamide

C12H16N4OS — CID 35536420

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1-methylpyrazol-4-yl)propanamide
SMILESCc1nc(NC(=O)CCc2cnn(C)c2)sc1C
InChIInChI=1S/C12H16N4OS/c1-8-9(2)18-12(14-8)15-11(17)5-4-10-6-13-16(3)7-10/h6-7H,4-5H2,1-3H3,(H,14,15,17)
InChIKeyWARPULQNTSNIAJ-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.06
Rot. Bonds4

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1-methylpyrazol-4-yl)propanamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1-methylpyrazol-4-yl)propanamide (PubChem CID 35536420) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1-methylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1-methylpyrazol-4-yl)propanamide
PubChem CID35536420
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1-methylpyrazol-4-yl)propanamide
SMILESCc1nc(NC(=O)CCc2cnn(C)c2)sc1C
InChIInChI=1S/C12H16N4OS/c1-8-9(2)18-12(14-8)15-11(17)5-4-10-6-13-16(3)7-10/h6-7H,4-5H2,1-3H3,(H,14,15,17)
InChIKeyWARPULQNTSNIAJ-UHFFFAOYSA-N
XLogP2.06
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenylpropanamide
CID 733834
3-(1-methylpyrazol-4-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 47298454
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1H-imidazol-5-yl)propanamide
CID 110697996
3-(1-methylpyrazol-4-yl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)propanamide;hydrochloride
CID 120998386
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(1-phenylpyrazol-4-yl)acetamide
CID 16622498
N-(4,5-dimethyl-1,3-thiazol-2-yl)pentanamide
CID 5181179
3-(1-methylpyrazol-4-yl)-N-naphthalen-2-ylpropanamide
CID 78905445
N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-3-(1-methylpyrazol-4-yl)propanamide
CID 78904432
N-(5-chloro-2-pyridinyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 35531684
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanamide
CID 6462954
N-(3-hydroxy-2-pyridinyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 47298670
N-(5-amino-2-methylphenyl)-3-(1-methylpyrazol-4-yl)propanamide;dihydrochloride
CID 120568841

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1-methylpyrazol-4-yl)propanamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1-methylpyrazol-4-yl)propanamide (CID 35536420) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1-methylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1-methylpyrazol-4-yl)propanamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1-methylpyrazol-4-yl)propanamide is Cc1nc(NC(=O)CCc2cnn(C)c2)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1-methylpyrazol-4-yl)propanamide?
The InChIKey is WARPULQNTSNIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-8-9(2)18-12(14-8)15-11(17)5-4-10-6-13-16(3)7-10/h6-7H,4-5H2,1-3H3,(H,14,15,17).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1-methylpyrazol-4-yl)propanamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1-methylpyrazol-4-yl)propanamide has a molecular weight of 264.35 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1-methylpyrazol-4-yl)propanamide is sourced from PubChem (CID 35536420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).