(1S,3S,4S)-3-amino-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-4-hydroxycyclopentane-1-carboxamide

C13H21N3O2S — CID 155503945

IUPAC(1S,3S,4S)-3-amino-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-4-hydroxycyclopentane-1-carboxamide
SMILESCCc1nc(C)sc1CNC(=O)[C@H]1C[C@H](N)[C@@H](O)C1
InChIInChI=1S/C13H21N3O2S/c1-3-10-12(19-7(2)16-10)6-15-13(18)8-4-9(14)11(17)5-8/h8-9,11,17H,3-6,14H2,1-2H3,(H,15,18)/t8-,9-,11-/m0/s1
InChIKeyAPNDRDOTXNOEQX-QXEWZRGKSA-N
MW283.40 g/mol
LogP0.73
Rot. Bonds4

About (1S,3S,4S)-3-amino-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-4-hydroxycyclopentane-1-carboxamide

(1S,3S,4S)-3-amino-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-4-hydroxycyclopentane-1-carboxamide (PubChem CID 155503945) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is (1S,3S,4S)-3-amino-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-4-hydroxycyclopentane-1-carboxamide.

Molecular Properties

Compound Name(1S,3S,4S)-3-amino-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-4-hydroxycyclopentane-1-carboxamide
PubChem CID155503945
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name(1S,3S,4S)-3-amino-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-4-hydroxycyclopentane-1-carboxamide
SMILESCCc1nc(C)sc1CNC(=O)[C@H]1C[C@H](N)[C@@H](O)C1
InChIInChI=1S/C13H21N3O2S/c1-3-10-12(19-7(2)16-10)6-15-13(18)8-4-9(14)11(17)5-8/h8-9,11,17H,3-6,14H2,1-2H3,(H,15,18)/t8-,9-,11-/m0/s1
InChIKeyAPNDRDOTXNOEQX-QXEWZRGKSA-N
XLogP0.73
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-propan-2-ylpiperidine-3-carboxamide
CID 97272581
(3R)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-propanoylpiperidine-3-carboxamide
CID 97276336
2-(carbamoylamino)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 91760946
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]cyclobutanecarboxamide
CID 121122773
N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 72882003
(1S,3R,4R)-3-amino-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-hydroxycyclopentane-1-carboxamide;hydrochloride
CID 155940256
3-amino-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
CID 91772420
(1S,3R,4R)-3-amino-4-hydroxy-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 155937997
(1S,3R,4R)-3-amino-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-hydroxycyclohexane-1-carboxamide;hydrochloride
CID 155939301
(1S,3R,4R)-3-amino-N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-4-hydroxycyclopentane-1-carboxamide
CID 154818526
N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-3-(3-fluorophenyl)pyrazolidine-4-carboxamide
CID 78083937
(1S,3S,4S)-3-amino-4-hydroxy-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxamide
CID 154820587

Frequently Asked Questions

What is the IUPAC name of (1S,3S,4S)-3-amino-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-4-hydroxycyclopentane-1-carboxamide?
The IUPAC name of (1S,3S,4S)-3-amino-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-4-hydroxycyclopentane-1-carboxamide (CID 155503945) is (1S,3S,4S)-3-amino-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-4-hydroxycyclopentane-1-carboxamide.
What is the SMILES notation for (1S,3S,4S)-3-amino-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-4-hydroxycyclopentane-1-carboxamide?
The canonical SMILES for (1S,3S,4S)-3-amino-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-4-hydroxycyclopentane-1-carboxamide is CCc1nc(C)sc1CNC(=O)[C@H]1C[C@H](N)[C@@H](O)C1.
What is the InChIKey of (1S,3S,4S)-3-amino-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-4-hydroxycyclopentane-1-carboxamide?
The InChIKey is APNDRDOTXNOEQX-QXEWZRGKSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-3-10-12(19-7(2)16-10)6-15-13(18)8-4-9(14)11(17)5-8/h8-9,11,17H,3-6,14H2,1-2H3,(H,15,18)/t8-,9-,11-/m0/s1.
What are the key properties of (1S,3S,4S)-3-amino-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-4-hydroxycyclopentane-1-carboxamide?
(1S,3S,4S)-3-amino-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-4-hydroxycyclopentane-1-carboxamide has a molecular weight of 283.40 g/mol, XLogP of 0.73, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,4S)-3-amino-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-4-hydroxycyclopentane-1-carboxamide is sourced from PubChem (CID 155503945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).