N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

C19H24N4OS — CID 119998726

IUPACN-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESO=C(Nc1nc(CN2CCCCC2)cs1)C1Cc2ccccc2CN1
InChIInChI=1S/C19H24N4OS/c24-18(17-10-14-6-2-3-7-15(14)11-20-17)22-19-21-16(13-25-19)12-23-8-4-1-5-9-23/h2-3,6-7,13,17,20H,1,4-5,8-12H2,(H,21,22,24)
InChIKeyRSJGXVNAUCVKFH-UHFFFAOYSA-N
MW356.50 g/mol
LogP2.78
Rot. Bonds4

About N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (PubChem CID 119998726) has the molecular formula C19H24N4OS and a molecular weight of 356.50 g/mol. Its IUPAC name is N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
PubChem CID119998726
Molecular FormulaC19H24N4OS
Molecular Weight356.50 g/mol
Exact Mass356.17
IUPAC NameN-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESO=C(Nc1nc(CN2CCCCC2)cs1)C1Cc2ccccc2CN1
InChIInChI=1S/C19H24N4OS/c24-18(17-10-14-6-2-3-7-15(14)11-20-17)22-19-21-16(13-25-19)12-23-8-4-1-5-9-23/h2-3,6-7,13,17,20H,1,4-5,8-12H2,(H,21,22,24)
InChIKeyRSJGXVNAUCVKFH-UHFFFAOYSA-N
XLogP2.78
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide with MolForge

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Related Compounds

N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 119840454
(3R)-N-(4-acetyl-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 64557137
2-hydroxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 134051886
N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-6-oxopiperidine-3-carboxamide
CID 51083310
5-phenyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2H-triazole-4-carboxamide
CID 126781218
2-(2-chlorophenyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 55477948
N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 17477064
N-(1,3,4-thiadiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 43185858
(2R)-2-amino-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide
CID 119830474
1-(2-methylpropanoyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 33210791
N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2-pyrrolidin-2-ylacetamide
CID 119830492
3-[[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]carbamoyl]benzoic acid
CID 138001675

Frequently Asked Questions

What is the IUPAC name of N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The IUPAC name of N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CID 119998726) is N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.
What is the SMILES notation for N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The canonical SMILES for N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is O=C(Nc1nc(CN2CCCCC2)cs1)C1Cc2ccccc2CN1.
What is the InChIKey of N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The InChIKey is RSJGXVNAUCVKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4OS/c24-18(17-10-14-6-2-3-7-15(14)11-20-17)22-19-21-16(13-25-19)12-23-8-4-1-5-9-23/h2-3,6-7,13,17,20H,1,4-5,8-12H2,(H,21,22,24).
What are the key properties of N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide has a molecular weight of 356.50 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is sourced from PubChem (CID 119998726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).