N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]cyclopropanecarboxamide

C12H18N2OS — CID 56823158

IUPACN-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]cyclopropanecarboxamide
SMILESCCc1nc(CCNC(=O)C2CC2)sc1C
InChIInChI=1S/C12H18N2OS/c1-3-10-8(2)16-11(14-10)6-7-13-12(15)9-4-5-9/h9H,3-7H2,1-2H3,(H,13,15)
InChIKeyCVLUGGKEYMRPTO-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.08
Rot. Bonds5

About N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]cyclopropanecarboxamide

N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]cyclopropanecarboxamide (PubChem CID 56823158) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]cyclopropanecarboxamide
PubChem CID56823158
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC NameN-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]cyclopropanecarboxamide
SMILESCCc1nc(CCNC(=O)C2CC2)sc1C
InChIInChI=1S/C12H18N2OS/c1-3-10-8(2)16-11(14-10)6-7-13-12(15)9-4-5-9/h9H,3-7H2,1-2H3,(H,13,15)
InChIKeyCVLUGGKEYMRPTO-UHFFFAOYSA-N
XLogP2.08
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylpropanamide
CID 94195848
N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide
CID 56823151
1-Cyclopropyl-3-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 56823192
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cyclohexanecarboxamide
CID 7196991
1-acetyl-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrrolidine-3-carboxamide
CID 72104563
1-(cyclopropylmethyl)-3-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]urea
CID 94196349
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylpropanamide
CID 47317384
N-cyclopentyl-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide
CID 49670603
N-cyclohexyl-2-(2,4-dimethylthiazol-5-yl)acetamide
CID 49719149
3-[[(2,5-dimethyl-1,3-thiazol-4-yl)acetyl](methyl)amino]-N-methylbutanamide
CID 56752765
1-[2-(4-Ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-methylurea
CID 56823204
N~1~-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-D-leucinamide
CID 56867772

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]cyclopropanecarboxamide (CID 56823158) is N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]cyclopropanecarboxamide is CCc1nc(CCNC(=O)C2CC2)sc1C.
What is the InChIKey of N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]cyclopropanecarboxamide?
The InChIKey is CVLUGGKEYMRPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-3-10-8(2)16-11(14-10)6-7-13-12(15)9-4-5-9/h9H,3-7H2,1-2H3,(H,13,15).
What are the key properties of N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]cyclopropanecarboxamide?
N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]cyclopropanecarboxamide has a molecular weight of 238.36 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 56823158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).