N,2,2,3,3-pentamethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopropane-1-carboxamide

C14H22N2OS — CID 122143739

IUPACN,2,2,3,3-pentamethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopropane-1-carboxamide
SMILESCc1ncc(CN(C)C(=O)C2C(C)(C)C2(C)C)s1
InChIInChI=1S/C14H22N2OS/c1-9-15-7-10(18-9)8-16(6)12(17)11-13(2,3)14(11,4)5/h7,11H,8H2,1-6H3
InChIKeyPDJZLYBGLPYRQU-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.09
Rot. Bonds3

About N,2,2,3,3-pentamethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopropane-1-carboxamide

N,2,2,3,3-pentamethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopropane-1-carboxamide (PubChem CID 122143739) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is N,2,2,3,3-pentamethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN,2,2,3,3-pentamethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopropane-1-carboxamide
PubChem CID122143739
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC NameN,2,2,3,3-pentamethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopropane-1-carboxamide
SMILESCc1ncc(CN(C)C(=O)C2C(C)(C)C2(C)C)s1
InChIInChI=1S/C14H22N2OS/c1-9-15-7-10(18-9)8-16(6)12(17)11-13(2,3)14(11,4)5/h7,11H,8H2,1-6H3
InChIKeyPDJZLYBGLPYRQU-UHFFFAOYSA-N
XLogP3.09
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,2,2-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 121446729
N-ethyl-N-methyl-3-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]propanamide
CID 71846432
2-cyclohexyl-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 126771074
N-hydroxy-2,2-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 156784555
N,5-dimethyl-4-oxo-3-propan-2-yl-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]hexanamide
CID 58416852
1-[(2-Chloro-1,3-thiazol-5-yl)methyl]-5-methylazepan-2-one
CID 79764355
Ethane;4-methyl-3-(5-methyl-1,3-thiazol-2-yl)pentanamide
CID 143926352
N-methyl-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]acetamide
CID 163592970
(2-Methyl-1,3-thiazol-5-yl)-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 178467783
1-[(1S)-2,2-dimethylcyclopropanecarbonyl]-N-methylidene-5-(1,3-thiazole-5-carbonyl)-1,5-diazonane-7-carboxamide
CID 178708635
(2R)-2-ethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]hexanamide
CID 39855017
(2S)-2-ethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]hexanamide
CID 39855018

Frequently Asked Questions

What is the IUPAC name of N,2,2,3,3-pentamethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of N,2,2,3,3-pentamethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopropane-1-carboxamide (CID 122143739) is N,2,2,3,3-pentamethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N,2,2,3,3-pentamethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for N,2,2,3,3-pentamethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopropane-1-carboxamide is Cc1ncc(CN(C)C(=O)C2C(C)(C)C2(C)C)s1.
What is the InChIKey of N,2,2,3,3-pentamethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopropane-1-carboxamide?
The InChIKey is PDJZLYBGLPYRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-9-15-7-10(18-9)8-16(6)12(17)11-13(2,3)14(11,4)5/h7,11H,8H2,1-6H3.
What are the key properties of N,2,2,3,3-pentamethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopropane-1-carboxamide?
N,2,2,3,3-pentamethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopropane-1-carboxamide has a molecular weight of 266.41 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2,3,3-pentamethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 122143739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).