trans-(1S,3R)-1-N,3-N,3-N,1,2,2-hexamethyl-1-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclopentane-1,3-dicarboxamide

C19H31N3O2S — CID 72873298

IUPACtrans-(1S,3R)-1-N,3-N,3-N,1,2,2-hexamethyl-1-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclopentane-1,3-dicarboxamide
SMILESCc1ncsc1CCN(C)C(=O)[C@@]1(C)CC[C@@H](C(=O)N(C)C)C1(C)C
InChIInChI=1S/C19H31N3O2S/c1-13-15(25-12-20-13)9-11-22(7)17(24)19(4)10-8-14(18(19,2)3)16(23)21(5)6/h12,14H,8-11H2,1-7H3/t14-,19+/m0/s1
InChIKeyAXWLFEUUTSQVTF-IFXJQAMLSA-N
MW365.54 g/mol
LogP2.98
Rot. Bonds5

About trans-(1S,3R)-1-N,3-N,3-N,1,2,2-hexamethyl-1-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclopentane-1,3-dicarboxamide

trans-(1S,3R)-1-N,3-N,3-N,1,2,2-hexamethyl-1-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclopentane-1,3-dicarboxamide (PubChem CID 72873298) has the molecular formula C19H31N3O2S and a molecular weight of 365.54 g/mol. Its IUPAC name is trans-(1S,3R)-1-N,3-N,3-N,1,2,2-hexamethyl-1-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclopentane-1,3-dicarboxamide.

Molecular Properties

Compound Nametrans-(1S,3R)-1-N,3-N,3-N,1,2,2-hexamethyl-1-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclopentane-1,3-dicarboxamide
PubChem CID72873298
Molecular FormulaC19H31N3O2S
Molecular Weight365.54 g/mol
Exact Mass365.21
IUPAC Nametrans-(1S,3R)-1-N,3-N,3-N,1,2,2-hexamethyl-1-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclopentane-1,3-dicarboxamide
SMILESCc1ncsc1CCN(C)C(=O)[C@@]1(C)CC[C@@H](C(=O)N(C)C)C1(C)C
InChIInChI=1S/C19H31N3O2S/c1-13-15(25-12-20-13)9-11-22(7)17(24)19(4)10-8-14(18(19,2)3)16(23)21(5)6/h12,14H,8-11H2,1-7H3/t14-,19+/m0/s1
InChIKeyAXWLFEUUTSQVTF-IFXJQAMLSA-N
XLogP2.98
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.54
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclobutane-1-carboxamide
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CID 125438357
2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]acetamide
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N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 56911022
N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 134709892
2-(4-methyl-1,3-thiazol-5-yl)ethyl cyclopropanecarboxylate
CID 11401580
1-(aminomethyl)-N,4-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide
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(3S)-6-methoxy-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97132314
1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclopropane-1-carboxylic acid
CID 66025958
(3R,4R)-N,1-dimethyl-4-(2-methyl-1H-imidazol-5-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-3-carboxamide
CID 70763061
2-tert-butyl-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 70729016
N-methyl-4-(6-methylpyridazin-3-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of trans-(1S,3R)-1-N,3-N,3-N,1,2,2-hexamethyl-1-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclopentane-1,3-dicarboxamide?
The IUPAC name of trans-(1S,3R)-1-N,3-N,3-N,1,2,2-hexamethyl-1-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclopentane-1,3-dicarboxamide (CID 72873298) is trans-(1S,3R)-1-N,3-N,3-N,1,2,2-hexamethyl-1-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclopentane-1,3-dicarboxamide.
What is the SMILES notation for trans-(1S,3R)-1-N,3-N,3-N,1,2,2-hexamethyl-1-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclopentane-1,3-dicarboxamide?
The canonical SMILES for trans-(1S,3R)-1-N,3-N,3-N,1,2,2-hexamethyl-1-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclopentane-1,3-dicarboxamide is Cc1ncsc1CCN(C)C(=O)[C@@]1(C)CC[C@@H](C(=O)N(C)C)C1(C)C.
What is the InChIKey of trans-(1S,3R)-1-N,3-N,3-N,1,2,2-hexamethyl-1-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclopentane-1,3-dicarboxamide?
The InChIKey is AXWLFEUUTSQVTF-IFXJQAMLSA-N. The full InChI is InChI=1S/C19H31N3O2S/c1-13-15(25-12-20-13)9-11-22(7)17(24)19(4)10-8-14(18(19,2)3)16(23)21(5)6/h12,14H,8-11H2,1-7H3/t14-,19+/m0/s1.
What are the key properties of trans-(1S,3R)-1-N,3-N,3-N,1,2,2-hexamethyl-1-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclopentane-1,3-dicarboxamide?
trans-(1S,3R)-1-N,3-N,3-N,1,2,2-hexamethyl-1-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclopentane-1,3-dicarboxamide has a molecular weight of 365.54 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3R)-1-N,3-N,3-N,1,2,2-hexamethyl-1-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclopentane-1,3-dicarboxamide is sourced from PubChem (CID 72873298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).