(3S)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

C16H17N3OS — CID 104896386

IUPAC(3S)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESO=C(Nc1nc2c(s1)CCC2)[C@@H]1Cc2ccccc2CN1
InChIInChI=1S/C16H17N3OS/c20-15(19-16-18-12-6-3-7-14(12)21-16)13-8-10-4-1-2-5-11(10)9-17-13/h1-2,4-5,13,17H,3,6-9H2,(H,18,19,20)/t13-/m0/s1
InChIKeyHWGHHNSZKYBHKI-ZDUSSCGKSA-N
MW299.40 g/mol
LogP2.28
Rot. Bonds2

About (3S)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

(3S)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (PubChem CID 104896386) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is (3S)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
PubChem CID104896386
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name(3S)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESO=C(Nc1nc2c(s1)CCC2)[C@@H]1Cc2ccccc2CN1
InChIInChI=1S/C16H17N3OS/c20-15(19-16-18-12-6-3-7-14(12)21-16)13-8-10-4-1-2-5-11(10)9-17-13/h1-2,4-5,13,17H,3,6-9H2,(H,18,19,20)/t13-/m0/s1
InChIKeyHWGHHNSZKYBHKI-ZDUSSCGKSA-N
XLogP2.28
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide with MolForge

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Related Compounds

N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119290956
N-(1,3,4-thiadiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 43185858
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzamide
CID 5140427
(3R)-N-(4-acetyl-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 64557137
(3S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 107641825
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazolidine-4-carboxamide
CID 54968780
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-2-carboxamide
CID 54968732
(2S)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119290959
N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 119270533
N-(1,2-oxazol-4-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 62902385
(3R)-N-(1,2-oxazol-4-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 55130680
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998755

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The IUPAC name of (3S)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CID 104896386) is (3S)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.
What is the SMILES notation for (3S)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The canonical SMILES for (3S)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is O=C(Nc1nc2c(s1)CCC2)[C@@H]1Cc2ccccc2CN1.
What is the InChIKey of (3S)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The InChIKey is HWGHHNSZKYBHKI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H17N3OS/c20-15(19-16-18-12-6-3-7-14(12)21-16)13-8-10-4-1-2-5-11(10)9-17-13/h1-2,4-5,13,17H,3,6-9H2,(H,18,19,20)/t13-/m0/s1.
What are the key properties of (3S)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
(3S)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide has a molecular weight of 299.40 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is sourced from PubChem (CID 104896386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).