2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide

C16H24N2OS — CID 18151160

IUPAC2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
SMILESCC(C)=CC1C(C(=O)Nc2nc(C(C)C)cs2)C1(C)C
InChIInChI=1S/C16H24N2OS/c1-9(2)7-11-13(16(11,5)6)14(19)18-15-17-12(8-20-15)10(3)4/h7-8,10-11,13H,1-6H3,(H,17,18,19)
InChIKeyLYDIINBXBBSZLF-UHFFFAOYSA-N
MW292.45 g/mol
LogP4.44
Rot. Bonds4

About 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide

2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide (PubChem CID 18151160) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
PubChem CID18151160
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
SMILESCC(C)=CC1C(C(=O)Nc2nc(C(C)C)cs2)C1(C)C
InChIInChI=1S/C16H24N2OS/c1-9(2)7-11-13(16(11,5)6)14(19)18-15-17-12(8-20-15)10(3)4/h7-8,10-11,13H,1-6H3,(H,17,18,19)
InChIKeyLYDIINBXBBSZLF-UHFFFAOYSA-N
XLogP4.44
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

cis-(1S,3S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 32868715
methyl 2-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]-1,3-thiazole-4-carboxylate
CID 141162652
trans-(1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 31349965
cis-(1R,3R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 51643854
methyl N-(4-propan-2-yl-1,3-thiazol-2-yl)carbamate
CID 58913263
1-acetyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)azetidine-3-carboxamide
CID 73439343
trans-(1S,3R)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 33041019
trans-(1R,3S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 27146985
(2R)-2-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide
CID 78973473
N-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 54958477
N-(1-hydroxypropan-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 110887340
N-(4-fluorophenyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 47014952

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide (CID 18151160) is 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide is CC(C)=CC1C(C(=O)Nc2nc(C(C)C)cs2)C1(C)C.
What is the InChIKey of 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
The InChIKey is LYDIINBXBBSZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-9(2)7-11-13(16(11,5)6)14(19)18-15-17-12(8-20-15)10(3)4/h7-8,10-11,13H,1-6H3,(H,17,18,19).
What are the key properties of 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide has a molecular weight of 292.45 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 18151160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).