N-[2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide

C19H27N5O2S — CID 42415421

IUPACN-[2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide
SMILESCc1nc(C)c(C(=O)N2CCC(n3nccc3NC(=O)C(C)(C)C)CC2)s1
InChIInChI=1S/C19H27N5O2S/c1-12-16(27-13(2)21-12)17(25)23-10-7-14(8-11-23)24-15(6-9-20-24)22-18(26)19(3,4)5/h6,9,14H,7-8,10-11H2,1-5H3,(H,22,26)
InChIKeyCDGYZORMBLMPJW-UHFFFAOYSA-N
MW389.53 g/mol
LogP3.42
Rot. Bonds3

About N-[2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide

N-[2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide (PubChem CID 42415421) has the molecular formula C19H27N5O2S and a molecular weight of 389.53 g/mol. Its IUPAC name is N-[2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide
PubChem CID42415421
Molecular FormulaC19H27N5O2S
Molecular Weight389.53 g/mol
Exact Mass389.19
IUPAC NameN-[2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide
SMILESCc1nc(C)c(C(=O)N2CCC(n3nccc3NC(=O)C(C)(C)C)CC2)s1
InChIInChI=1S/C19H27N5O2S/c1-12-16(27-13(2)21-12)17(25)23-10-7-14(8-11-23)24-15(6-9-20-24)22-18(26)19(3,4)5/h6,9,14H,7-8,10-11H2,1-5H3,(H,22,26)
InChIKeyCDGYZORMBLMPJW-UHFFFAOYSA-N
XLogP3.42
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.53
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide (CID 42415421) is N-[2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide is Cc1nc(C)c(C(=O)N2CCC(n3nccc3NC(=O)C(C)(C)C)CC2)s1.
What is the InChIKey of N-[2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide?
The InChIKey is CDGYZORMBLMPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2S/c1-12-16(27-13(2)21-12)17(25)23-10-7-14(8-11-23)24-15(6-9-20-24)22-18(26)19(3,4)5/h6,9,14H,7-8,10-11H2,1-5H3,(H,22,26).
What are the key properties of N-[2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide?
N-[2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide has a molecular weight of 389.53 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 42415421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).