cis-(1R,2S)-2-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide

C14H21N3O2S — CID 126807323

IUPACcis-(1R,2S)-2-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide
SMILESCc1nc(C)c(CCNC(=O)[C@H]2C[C@H]2C(=O)N(C)C)s1
InChIInChI=1S/C14H21N3O2S/c1-8-12(20-9(2)16-8)5-6-15-13(18)10-7-11(10)14(19)17(3)4/h10-11H,5-7H2,1-4H3,(H,15,18)/t10-,11+/m0/s1
InChIKeyOEIMANKJALYQKX-WDEREUQCSA-N
MW295.41 g/mol
LogP1.14
Rot. Bonds5

About cis-(1R,2S)-2-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide

cis-(1R,2S)-2-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide (PubChem CID 126807323) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is cis-(1R,2S)-2-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide
PubChem CID126807323
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Namecis-(1R,2S)-2-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide
SMILESCc1nc(C)c(CCNC(=O)[C@H]2C[C@H]2C(=O)N(C)C)s1
InChIInChI=1S/C14H21N3O2S/c1-8-12(20-9(2)16-8)5-6-15-13(18)10-7-11(10)14(19)17(3)4/h10-11H,5-7H2,1-4H3,(H,15,18)/t10-,11+/m0/s1
InChIKeyOEIMANKJALYQKX-WDEREUQCSA-N
XLogP1.14
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cyclopentanecarboxamide
CID 110395068
cis-(1S,3R)-3-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122065542
(2S,5R)-5-(aminomethyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]oxolane-2-carboxamide
CID 120800320
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(methylamino)acetamide;hydrochloride
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N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pentanamide
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N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(1-hydroxycyclopentyl)acetamide
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1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[[(3R)-oxolan-3-yl]methyl]urea
CID 95617014
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3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-propylpropanamide
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2-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 103790265
1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide?
The IUPAC name of cis-(1R,2S)-2-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide (CID 126807323) is cis-(1R,2S)-2-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide.
What is the SMILES notation for cis-(1R,2S)-2-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide?
The canonical SMILES for cis-(1R,2S)-2-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide is Cc1nc(C)c(CCNC(=O)[C@H]2C[C@H]2C(=O)N(C)C)s1.
What is the InChIKey of cis-(1R,2S)-2-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide?
The InChIKey is OEIMANKJALYQKX-WDEREUQCSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-8-12(20-9(2)16-8)5-6-15-13(18)10-7-11(10)14(19)17(3)4/h10-11H,5-7H2,1-4H3,(H,15,18)/t10-,11+/m0/s1.
What are the key properties of cis-(1R,2S)-2-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide?
cis-(1R,2S)-2-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide has a molecular weight of 295.41 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 126807323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).