N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-(1-methylpyrazol-4-yl)propanamide

C18H27N5OS — CID 47061468

IUPACN-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-(1-methylpyrazol-4-yl)propanamide
SMILESCC1CC(C)CN(Cc2csc(NC(=O)CCc3cnn(C)c3)n2)C1
InChIInChI=1S/C18H27N5OS/c1-13-6-14(2)9-23(8-13)11-16-12-25-18(20-16)21-17(24)5-4-15-7-19-22(3)10-15/h7,10,12-14H,4-6,8-9,11H2,1-3H3,(H,20,21,24)
InChIKeyORJOWJVSNJTJQD-UHFFFAOYSA-N
MW361.52 g/mol
LogP2.93
Rot. Bonds6

About N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-(1-methylpyrazol-4-yl)propanamide

N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-(1-methylpyrazol-4-yl)propanamide (PubChem CID 47061468) has the molecular formula C18H27N5OS and a molecular weight of 361.52 g/mol. Its IUPAC name is N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-(1-methylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-(1-methylpyrazol-4-yl)propanamide
PubChem CID47061468
Molecular FormulaC18H27N5OS
Molecular Weight361.52 g/mol
Exact Mass361.19
IUPAC NameN-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-(1-methylpyrazol-4-yl)propanamide
SMILESCC1CC(C)CN(Cc2csc(NC(=O)CCc3cnn(C)c3)n2)C1
InChIInChI=1S/C18H27N5OS/c1-13-6-14(2)9-23(8-13)11-16-12-25-18(20-16)21-17(24)5-4-15-7-19-22(3)10-15/h7,10,12-14H,4-6,8-9,11H2,1-3H3,(H,20,21,24)
InChIKeyORJOWJVSNJTJQD-UHFFFAOYSA-N
XLogP2.93
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.52
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 53603018
N-methyl-N-[4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 53612720
N-[4-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 53619910
2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 56780507
N-[4-[2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
CID 56802316
N-[4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 56825323
1-[1-(1-Methylpyrazol-4-yl)piperidin-3-yl]-3-(4-propan-2-yl-1,3-thiazol-2-yl)urea
CID 71870403
2-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 72043973
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-pyrazol-1-ylacetamide
CID 33303284
(2S)-N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-pyrazol-1-ylpropanamide
CID 35747581
3-(1-methylpyrazol-4-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 47298927
3-(1-methylpyrazol-4-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 47298958

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-(1-methylpyrazol-4-yl)propanamide?
The IUPAC name of N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-(1-methylpyrazol-4-yl)propanamide (CID 47061468) is N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-(1-methylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-(1-methylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-(1-methylpyrazol-4-yl)propanamide is CC1CC(C)CN(Cc2csc(NC(=O)CCc3cnn(C)c3)n2)C1.
What is the InChIKey of N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-(1-methylpyrazol-4-yl)propanamide?
The InChIKey is ORJOWJVSNJTJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5OS/c1-13-6-14(2)9-23(8-13)11-16-12-25-18(20-16)21-17(24)5-4-15-7-19-22(3)10-15/h7,10,12-14H,4-6,8-9,11H2,1-3H3,(H,20,21,24).
What are the key properties of N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-(1-methylpyrazol-4-yl)propanamide?
N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-(1-methylpyrazol-4-yl)propanamide has a molecular weight of 361.52 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-(1-methylpyrazol-4-yl)propanamide is sourced from PubChem (CID 47061468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).