N-[[1-(dimethylamino)cyclopropyl]methyl]-5-methyl-1,2-thiazole-3-carboxamide

C11H17N3OS — CID 126819064

IUPACN-[[1-(dimethylamino)cyclopropyl]methyl]-5-methyl-1,2-thiazole-3-carboxamide
SMILESCc1cc(C(=O)NCC2(N(C)C)CC2)ns1
InChIInChI=1S/C11H17N3OS/c1-8-6-9(13-16-8)10(15)12-7-11(4-5-11)14(2)3/h6H,4-5,7H2,1-3H3,(H,12,15)
InChIKeyNJJHDJJDZUEFGC-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.28
Rot. Bonds4

About N-[[1-(dimethylamino)cyclopropyl]methyl]-5-methyl-1,2-thiazole-3-carboxamide

N-[[1-(dimethylamino)cyclopropyl]methyl]-5-methyl-1,2-thiazole-3-carboxamide (PubChem CID 126819064) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclopropyl]methyl]-5-methyl-1,2-thiazole-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclopropyl]methyl]-5-methyl-1,2-thiazole-3-carboxamide
PubChem CID126819064
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC NameN-[[1-(dimethylamino)cyclopropyl]methyl]-5-methyl-1,2-thiazole-3-carboxamide
SMILESCc1cc(C(=O)NCC2(N(C)C)CC2)ns1
InChIInChI=1S/C11H17N3OS/c1-8-6-9(13-16-8)10(15)12-7-11(4-5-11)14(2)3/h6H,4-5,7H2,1-3H3,(H,12,15)
InChIKeyNJJHDJJDZUEFGC-UHFFFAOYSA-N
XLogP1.28
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-(2-methylprop-2-enyl)-1,2-thiazole-3-carboxamide
CID 130778441
N-[[1-(dimethylamino)cyclobutyl]methyl]-2H-triazole-4-carboxamide
CID 105420051
N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2-carboxamide
CID 47108596
N-[[1-(dimethylamino)cyclohexyl]methyl]pyridine-2-carboxamide
CID 4787654
5-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2-carboxamide
CID 83107440
2-[[1-(dimethylamino)cyclobutyl]methylcarbamoyl]-1,3-thiazole-4-carboxylic acid
CID 105419989
4-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-6-methylpyridine-3-carboxamide
CID 83115454
2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-methylpyridine-4-carboxamide
CID 105420310
N-[[1-(dimethylamino)cycloheptyl]methyl]-2-phenyltriazole-4-carboxamide
CID 18165130
5-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-2,4-dimethylbenzamide
CID 102705855
N-[[1-(dimethylamino)cyclopropyl]methyl]-2,2-dimethylpropanamide
CID 155951770
N-[[1-(dimethylamino)cyclobutyl]methyl]-6-(ethylamino)pyridine-2-carboxamide
CID 105420344

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclopropyl]methyl]-5-methyl-1,2-thiazole-3-carboxamide?
The IUPAC name of N-[[1-(dimethylamino)cyclopropyl]methyl]-5-methyl-1,2-thiazole-3-carboxamide (CID 126819064) is N-[[1-(dimethylamino)cyclopropyl]methyl]-5-methyl-1,2-thiazole-3-carboxamide.
What is the SMILES notation for N-[[1-(dimethylamino)cyclopropyl]methyl]-5-methyl-1,2-thiazole-3-carboxamide?
The canonical SMILES for N-[[1-(dimethylamino)cyclopropyl]methyl]-5-methyl-1,2-thiazole-3-carboxamide is Cc1cc(C(=O)NCC2(N(C)C)CC2)ns1.
What is the InChIKey of N-[[1-(dimethylamino)cyclopropyl]methyl]-5-methyl-1,2-thiazole-3-carboxamide?
The InChIKey is NJJHDJJDZUEFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-8-6-9(13-16-8)10(15)12-7-11(4-5-11)14(2)3/h6H,4-5,7H2,1-3H3,(H,12,15).
What are the key properties of N-[[1-(dimethylamino)cyclopropyl]methyl]-5-methyl-1,2-thiazole-3-carboxamide?
N-[[1-(dimethylamino)cyclopropyl]methyl]-5-methyl-1,2-thiazole-3-carboxamide has a molecular weight of 239.34 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclopropyl]methyl]-5-methyl-1,2-thiazole-3-carboxamide is sourced from PubChem (CID 126819064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).