N-butyl-2,2-dimethyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]propanamide

C15H25N3O2S — CID 5078551

IUPACN-butyl-2,2-dimethyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]propanamide
SMILESCCCCN(CC(=O)Nc1nc(C)cs1)C(=O)C(C)(C)C
InChIInChI=1S/C15H25N3O2S/c1-6-7-8-18(13(20)15(3,4)5)9-12(19)17-14-16-11(2)10-21-14/h10H,6-9H2,1-5H3,(H,16,17,19)
InChIKeyLQCARCSOMUTYMD-UHFFFAOYSA-N
MW311.45 g/mol
LogP3.06
Rot. Bonds6

About N-butyl-2,2-dimethyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]propanamide

N-butyl-2,2-dimethyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]propanamide (PubChem CID 5078551) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-butyl-2,2-dimethyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]propanamide.

Molecular Properties

Compound NameN-butyl-2,2-dimethyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]propanamide
PubChem CID5078551
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC NameN-butyl-2,2-dimethyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]propanamide
SMILESCCCCN(CC(=O)Nc1nc(C)cs1)C(=O)C(C)(C)C
InChIInChI=1S/C15H25N3O2S/c1-6-7-8-18(13(20)15(3,4)5)9-12(19)17-14-16-11(2)10-21-14/h10H,6-9H2,1-5H3,(H,16,17,19)
InChIKeyLQCARCSOMUTYMD-UHFFFAOYSA-N
XLogP3.06
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentylpropanamide
CID 4063558
N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentyldodecanamide
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N-butyl-2,2-dimethyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]propanamide
CID 42663883
N-[2-(dimethylamino)ethyl]-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]octanamide
CID 3558431
2-chloro-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentylbenzamide
CID 4076397
2-(4-butylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 30273255
N-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]nonanamide
CID 4188240
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CID 139176889
2-[2,2-dimethylpropyl(3-hydroxypropyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 111112405
2-[ethyl-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]-2-methylpropanoic acid
CID 55123515
N-[2-(dimethylamino)ethyl]-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-4-pentylbenzamide
CID 5064343
2-[tert-butyl-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]acetic acid
CID 79269282

Frequently Asked Questions

What is the IUPAC name of N-butyl-2,2-dimethyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]propanamide?
The IUPAC name of N-butyl-2,2-dimethyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]propanamide (CID 5078551) is N-butyl-2,2-dimethyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]propanamide.
What is the SMILES notation for N-butyl-2,2-dimethyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]propanamide?
The canonical SMILES for N-butyl-2,2-dimethyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]propanamide is CCCCN(CC(=O)Nc1nc(C)cs1)C(=O)C(C)(C)C.
What is the InChIKey of N-butyl-2,2-dimethyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]propanamide?
The InChIKey is LQCARCSOMUTYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-6-7-8-18(13(20)15(3,4)5)9-12(19)17-14-16-11(2)10-21-14/h10H,6-9H2,1-5H3,(H,16,17,19).
What are the key properties of N-butyl-2,2-dimethyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]propanamide?
N-butyl-2,2-dimethyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]propanamide has a molecular weight of 311.45 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2,2-dimethyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]propanamide is sourced from PubChem (CID 5078551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).