N-[1-(dimethylamino)-4-methylpentan-2-yl]-1,3-thiazole-4-carboxamide

C12H21N3OS — CID 55144390

IUPACN-[1-(dimethylamino)-4-methylpentan-2-yl]-1,3-thiazole-4-carboxamide
SMILESCC(C)CC(CN(C)C)NC(=O)c1cscn1
InChIInChI=1S/C12H21N3OS/c1-9(2)5-10(6-15(3)4)14-12(16)11-7-17-8-13-11/h7-10H,5-6H2,1-4H3,(H,14,16)
InChIKeyISWXKWLVBSMYDE-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.85
Rot. Bonds6

About N-[1-(dimethylamino)-4-methylpentan-2-yl]-1,3-thiazole-4-carboxamide

N-[1-(dimethylamino)-4-methylpentan-2-yl]-1,3-thiazole-4-carboxamide (PubChem CID 55144390) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is N-[1-(dimethylamino)-4-methylpentan-2-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)-4-methylpentan-2-yl]-1,3-thiazole-4-carboxamide
PubChem CID55144390
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC NameN-[1-(dimethylamino)-4-methylpentan-2-yl]-1,3-thiazole-4-carboxamide
SMILESCC(C)CC(CN(C)C)NC(=O)c1cscn1
InChIInChI=1S/C12H21N3OS/c1-9(2)5-10(6-15(3)4)14-12(16)11-7-17-8-13-11/h7-10H,5-6H2,1-4H3,(H,14,16)
InChIKeyISWXKWLVBSMYDE-UHFFFAOYSA-N
XLogP1.85
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide
CID 63038589
N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 58337725
6-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-2-carboxamide
CID 103875259
N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide
CID 63038055
N-(4-hydroxybutan-2-yl)-1,3-thiazole-4-carboxamide
CID 81042781
(2S,4S)-2-methyl-4-(1,3-thiazole-4-carbonylamino)pentanoic acid
CID 90378227
2-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-3-carboxamide
CID 103752619
N-(1-amino-3-methylbutan-2-yl)-1,3-thiazole-4-carboxamide
CID 65193010
N-(1-methoxypropan-2-yl)-1,3-thiazole-4-carboxamide
CID 63038066
N-[2-(2-hydroxyethyl)-4-methylpentyl]-1,3-thiazole-4-carboxamide
CID 111662589
N-[1-(dimethylamino)-4-methylpentan-2-yl]-2,5-dimethylthiophene-3-carboxamide
CID 86994687
N-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole-4-carboxamide
CID 130767344

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)-4-methylpentan-2-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[1-(dimethylamino)-4-methylpentan-2-yl]-1,3-thiazole-4-carboxamide (CID 55144390) is N-[1-(dimethylamino)-4-methylpentan-2-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[1-(dimethylamino)-4-methylpentan-2-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[1-(dimethylamino)-4-methylpentan-2-yl]-1,3-thiazole-4-carboxamide is CC(C)CC(CN(C)C)NC(=O)c1cscn1.
What is the InChIKey of N-[1-(dimethylamino)-4-methylpentan-2-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is ISWXKWLVBSMYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-9(2)5-10(6-15(3)4)14-12(16)11-7-17-8-13-11/h7-10H,5-6H2,1-4H3,(H,14,16).
What are the key properties of N-[1-(dimethylamino)-4-methylpentan-2-yl]-1,3-thiazole-4-carboxamide?
N-[1-(dimethylamino)-4-methylpentan-2-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 255.39 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)-4-methylpentan-2-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 55144390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).