N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide

C15H22N4OS — CID 70712275

IUPACN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
SMILESCc1nc(CCNC(=O)c2cc(C(C)C)nn2C)sc1C
InChIInChI=1S/C15H22N4OS/c1-9(2)12-8-13(19(5)18-12)15(20)16-7-6-14-17-10(3)11(4)21-14/h8-9H,6-7H2,1-5H3,(H,16,20)
InChIKeyUPHGGGXAPOTCRE-UHFFFAOYSA-N
MW306.44 g/mol
LogP2.59
Rot. Bonds5

About N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide

N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide (PubChem CID 70712275) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
PubChem CID70712275
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC NameN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
SMILESCc1nc(CCNC(=O)c2cc(C(C)C)nn2C)sc1C
InChIInChI=1S/C15H22N4OS/c1-9(2)12-8-13(19(5)18-12)15(20)16-7-6-14-17-10(3)11(4)21-14/h8-9H,6-7H2,1-5H3,(H,16,20)
InChIKeyUPHGGGXAPOTCRE-UHFFFAOYSA-N
XLogP2.59
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-1-isobutyl-5-[(2-methyl-1,3-thiazol-4-yl)carbonyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26146434
N-[2-(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 50973597
N-[(5-Cyclopropyl-1H-pyrazol-3-YL)methyl]-2-isopropyl-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 50974003
N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-isopropyl-1-methyl-1H-pyrazole-5-carboxamide
CID 50975850
2,5-dimethyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyrazole-3-carboxamide
CID 53611504
N-[4-(aminomethyl)-1,3-thiazol-2-yl]-3-tert-butyl-1-methylpyrazole-5-carboxamide
CID 56649132
(2,5-Dimethylpyrazol-3-yl)-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 56819387
N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-isobutyl-1-methyl-1H-pyrazole-5-carboxamide
CID 70763750
(5-cyclopropyl-1H-pyrazol-3-yl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 72135950
(1,5-Dimethylpyrazol-3-yl)-[2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 72145417
[2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 72145425
(5-cyclopropyl-1H-pyrazol-3-yl)-[2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 72145439

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide?
The IUPAC name of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide (CID 70712275) is N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide?
The canonical SMILES for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide is Cc1nc(CCNC(=O)c2cc(C(C)C)nn2C)sc1C.
What is the InChIKey of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide?
The InChIKey is UPHGGGXAPOTCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-9(2)12-8-13(19(5)18-12)15(20)16-7-6-14-17-10(3)11(4)21-14/h8-9H,6-7H2,1-5H3,(H,16,20).
What are the key properties of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide?
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 306.44 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 70712275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).