N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide

C16H22N4OS — CID 50974003

IUPACN-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(C)C)sc1C(=O)N(C)Cc1cc(C2CC2)n[nH]1
InChIInChI=1S/C16H22N4OS/c1-9(2)15-17-10(3)14(22-15)16(21)20(4)8-12-7-13(19-18-12)11-5-6-11/h7,9,11H,5-6,8H2,1-4H3,(H,18,19)
InChIKeyUNBNCEFTSJHIGC-UHFFFAOYSA-N
MW318.45 g/mol
LogP3.45
Rot. Bonds5

About N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide

N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 50974003) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
PubChem CID50974003
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC NameN-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(C)C)sc1C(=O)N(C)Cc1cc(C2CC2)n[nH]1
InChIInChI=1S/C16H22N4OS/c1-9(2)15-17-10(3)14(22-15)16(21)20(4)8-12-7-13(19-18-12)11-5-6-11/h7,9,11H,5-6,8H2,1-4H3,(H,18,19)
InChIKeyUNBNCEFTSJHIGC-UHFFFAOYSA-N
XLogP3.45
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-isopropyl-1-methyl-1H-pyrazole-5-carboxamide
CID 70712275
1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone
CID 71926808
(5-cyclopropyl-1H-pyrazol-3-yl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 72135950
[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
5-[(cyclopropylmethylamino)methyl]-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide
CID 177700551
3-(1-(2,4-dimethylthiazole-5-carbonyl)piperidin-2-yl)-1H-pyrazole-5-carboxamide
CID 91628810
5-cyclopropyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-3-carboxamide
CID 47290731
N-[(5-Cyclopropyl-1H-pyrazol-3-YL)methyl]-2-ethyl-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 50973346
5-[(3S)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 97217745
3-cyclopropyl-N,5-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-4-carboxamide
CID 124211498
3-cyclopropyl-5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-carboxamide
CID 131904718

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide (CID 50974003) is N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(C(C)C)sc1C(=O)N(C)Cc1cc(C2CC2)n[nH]1.
What is the InChIKey of N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is UNBNCEFTSJHIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-9(2)15-17-10(3)14(22-15)16(21)20(4)8-12-7-13(19-18-12)11-5-6-11/h7,9,11H,5-6,8H2,1-4H3,(H,18,19).
What are the key properties of N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 318.45 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 50974003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).