N-[2-[1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide

C19H25N5O2S — CID 29185071

IUPACN-[2-[1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
SMILESCc1nc(C)c(CC(=O)N2CCC(n3nccc3NC(=O)C3CC3)CC2)s1
InChIInChI=1S/C19H25N5O2S/c1-12-16(27-13(2)21-12)11-18(25)23-9-6-15(7-10-23)24-17(5-8-20-24)22-19(26)14-3-4-14/h5,8,14-15H,3-4,6-7,9-11H2,1-2H3,(H,22,26)
InChIKeyFOWCSCZFYRHYFC-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.71
Rot. Bonds5

About N-[2-[1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide

N-[2-[1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide (PubChem CID 29185071) has the molecular formula C19H25N5O2S and a molecular weight of 387.51 g/mol. Its IUPAC name is N-[2-[1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
PubChem CID29185071
Molecular FormulaC19H25N5O2S
Molecular Weight387.51 g/mol
Exact Mass387.17
IUPAC NameN-[2-[1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
SMILESCc1nc(C)c(CC(=O)N2CCC(n3nccc3NC(=O)C3CC3)CC2)s1
InChIInChI=1S/C19H25N5O2S/c1-12-16(27-13(2)21-12)11-18(25)23-9-6-15(7-10-23)24-17(5-8-20-24)22-19(26)14-3-4-14/h5,8,14-15H,3-4,6-7,9-11H2,1-2H3,(H,22,26)
InChIKeyFOWCSCZFYRHYFC-UHFFFAOYSA-N
XLogP2.71
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.71
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-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide (CID 29185071) is N-[2-[1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide is Cc1nc(C)c(CC(=O)N2CCC(n3nccc3NC(=O)C3CC3)CC2)s1.
What is the InChIKey of N-[2-[1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The InChIKey is FOWCSCZFYRHYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2S/c1-12-16(27-13(2)21-12)11-18(25)23-9-6-15(7-10-23)24-17(5-8-20-24)22-19(26)14-3-4-14/h5,8,14-15H,3-4,6-7,9-11H2,1-2H3,(H,22,26).
What are the key properties of N-[2-[1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
N-[2-[1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide has a molecular weight of 387.51 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 29185071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).