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

C16H25N3O2S — CID 155500969

IUPAC(1S,3R,4R)-4-amino-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-methoxycyclohexane-1-carboxamide
SMILESCO[C@@H]1C[C@@H](C(=O)NCCc2nc3c(s2)CCC3)CC[C@H]1N
InChIInChI=1S/C16H25N3O2S/c1-21-13-9-10(5-6-11(13)17)16(20)18-8-7-15-19-12-3-2-4-14(12)22-15/h10-11,13H,2-9,17H2,1H3,(H,18,20)/t10-,11+,13+/m0/s1
InChIKeyIAPUMMPUVDHUIJ-DMDPSCGWSA-N
MW323.46 g/mol
LogP1.43
Rot. Bonds5

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

(1S,3R,4R)-4-amino-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-methoxycyclohexane-1-carboxamide (PubChem CID 155500969) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is (1S,3R,4R)-4-amino-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-methoxycyclohexane-1-carboxamide.

Molecular Properties

Compound Name(1S,3R,4R)-4-amino-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-methoxycyclohexane-1-carboxamide
PubChem CID155500969
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC Name(1S,3R,4R)-4-amino-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-methoxycyclohexane-1-carboxamide
SMILESCO[C@@H]1C[C@@H](C(=O)NCCc2nc3c(s2)CCC3)CC[C@H]1N
InChIInChI=1S/C16H25N3O2S/c1-21-13-9-10(5-6-11(13)17)16(20)18-8-7-15-19-12-3-2-4-14(12)22-15/h10-11,13H,2-9,17H2,1H3,(H,18,20)/t10-,11+,13+/m0/s1
InChIKeyIAPUMMPUVDHUIJ-DMDPSCGWSA-N
XLogP1.43
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

cis-(1R,3S)-3-amino-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]cyclopentane-1-carboxamide
CID 133118561
9-amino-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120988447
(4aR,6S,8aR)-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine-6-carboxamide;dihydrochloride
CID 163334405
(3S)-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 95125789
ethyl N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]carbamate
CID 110460548
trans-(1S,2S)-2-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 124610049
trans-(1R,2R)-2-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 124610050
(3R)-1-ethyl-5-oxo-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 95309842
N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]piperidine-2-carboxamide
CID 110462344
(1S,3S,4S)-4-amino-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-methoxycyclohexane-1-carboxamide;dihydrochloride
CID 163334584
N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-ethoxypropanamide
CID 119066686
N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
CID 154910811

Frequently Asked Questions

What is the IUPAC name of (1S,3R,4R)-4-amino-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-methoxycyclohexane-1-carboxamide?
The IUPAC name of (1S,3R,4R)-4-amino-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-methoxycyclohexane-1-carboxamide (CID 155500969) is (1S,3R,4R)-4-amino-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-methoxycyclohexane-1-carboxamide.
What is the SMILES notation for (1S,3R,4R)-4-amino-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-methoxycyclohexane-1-carboxamide?
The canonical SMILES for (1S,3R,4R)-4-amino-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-methoxycyclohexane-1-carboxamide is CO[C@@H]1C[C@@H](C(=O)NCCc2nc3c(s2)CCC3)CC[C@H]1N.
What is the InChIKey of (1S,3R,4R)-4-amino-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-methoxycyclohexane-1-carboxamide?
The InChIKey is IAPUMMPUVDHUIJ-DMDPSCGWSA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-21-13-9-10(5-6-11(13)17)16(20)18-8-7-15-19-12-3-2-4-14(12)22-15/h10-11,13H,2-9,17H2,1H3,(H,18,20)/t10-,11+,13+/m0/s1.
What are the key properties of (1S,3R,4R)-4-amino-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-methoxycyclohexane-1-carboxamide?
(1S,3R,4R)-4-amino-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-methoxycyclohexane-1-carboxamide has a molecular weight of 323.46 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,4R)-4-amino-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-methoxycyclohexane-1-carboxamide is sourced from PubChem (CID 155500969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).