cis-(1S,3R)-2,2-dimethyl-3-[1-(4-methyl-1,3-thiazol-2-yl)propylcarbamoyl]cyclopropane-1-carboxylic acid

C14H20N2O3S — CID 122065524

IUPACcis-(1S,3R)-2,2-dimethyl-3-[1-(4-methyl-1,3-thiazol-2-yl)propylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESCCC(NC(=O)[C@@H]1[C@H](C(=O)O)C1(C)C)c1nc(C)cs1
InChIInChI=1S/C14H20N2O3S/c1-5-8(12-15-7(2)6-20-12)16-11(17)9-10(13(18)19)14(9,3)4/h6,8-10H,5H2,1-4H3,(H,16,17)(H,18,19)/t8?,9-,10+/m0/s1
InChIKeyWBHJTPRFBATGGB-CBMCFHRWSA-N
MW296.39 g/mol
LogP2.38
Rot. Bonds5

About cis-(1S,3R)-2,2-dimethyl-3-[1-(4-methyl-1,3-thiazol-2-yl)propylcarbamoyl]cyclopropane-1-carboxylic acid

cis-(1S,3R)-2,2-dimethyl-3-[1-(4-methyl-1,3-thiazol-2-yl)propylcarbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 122065524) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is cis-(1S,3R)-2,2-dimethyl-3-[1-(4-methyl-1,3-thiazol-2-yl)propylcarbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-2,2-dimethyl-3-[1-(4-methyl-1,3-thiazol-2-yl)propylcarbamoyl]cyclopropane-1-carboxylic acid
PubChem CID122065524
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Namecis-(1S,3R)-2,2-dimethyl-3-[1-(4-methyl-1,3-thiazol-2-yl)propylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESCCC(NC(=O)[C@@H]1[C@H](C(=O)O)C1(C)C)c1nc(C)cs1
InChIInChI=1S/C14H20N2O3S/c1-5-8(12-15-7(2)6-20-12)16-11(17)9-10(13(18)19)14(9,3)4/h6,8-10H,5H2,1-4H3,(H,16,17)(H,18,19)/t8?,9-,10+/m0/s1
InChIKeyWBHJTPRFBATGGB-CBMCFHRWSA-N
XLogP2.38
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze cis-(1S,3R)-2,2-dimethyl-3-[1-(4-methyl-1,3-thiazol-2-yl)propylcarbamoyl]cyclopropane-1-carboxylic acid with MolForge

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Related Compounds

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(1S)-2,2-dichloro-1-methyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide
CID 95334068
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1-[(6-methyl-3-pyridinyl)methyl]-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 95598162
(2S)-2-amino-4-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]pentanamide
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1-[(1-hydroxycyclopentyl)methyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)propyl]urea
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3-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]benzene-1,3-dicarboxamide
CID 119121660
4-(methylamino)-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]butanamide;dihydrochloride
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3-hydroxy-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]-3-phenylbutanamide
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Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-2,2-dimethyl-3-[1-(4-methyl-1,3-thiazol-2-yl)propylcarbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-2,2-dimethyl-3-[1-(4-methyl-1,3-thiazol-2-yl)propylcarbamoyl]cyclopropane-1-carboxylic acid (CID 122065524) is cis-(1S,3R)-2,2-dimethyl-3-[1-(4-methyl-1,3-thiazol-2-yl)propylcarbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-2,2-dimethyl-3-[1-(4-methyl-1,3-thiazol-2-yl)propylcarbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-2,2-dimethyl-3-[1-(4-methyl-1,3-thiazol-2-yl)propylcarbamoyl]cyclopropane-1-carboxylic acid is CCC(NC(=O)[C@@H]1[C@H](C(=O)O)C1(C)C)c1nc(C)cs1.
What is the InChIKey of cis-(1S,3R)-2,2-dimethyl-3-[1-(4-methyl-1,3-thiazol-2-yl)propylcarbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is WBHJTPRFBATGGB-CBMCFHRWSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-5-8(12-15-7(2)6-20-12)16-11(17)9-10(13(18)19)14(9,3)4/h6,8-10H,5H2,1-4H3,(H,16,17)(H,18,19)/t8?,9-,10+/m0/s1.
What are the key properties of cis-(1S,3R)-2,2-dimethyl-3-[1-(4-methyl-1,3-thiazol-2-yl)propylcarbamoyl]cyclopropane-1-carboxylic acid?
cis-(1S,3R)-2,2-dimethyl-3-[1-(4-methyl-1,3-thiazol-2-yl)propylcarbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 296.39 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-2,2-dimethyl-3-[1-(4-methyl-1,3-thiazol-2-yl)propylcarbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 122065524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).