2,2-dimethyl-N-[3-[(5-methyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]propanamide

C12H19N3O2S — CID 18155112

IUPAC2,2-dimethyl-N-[3-[(5-methyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]propanamide
SMILESCc1cnc(NC(=O)CCNC(=O)C(C)(C)C)s1
InChIInChI=1S/C12H19N3O2S/c1-8-7-14-11(18-8)15-9(16)5-6-13-10(17)12(2,3)4/h7H,5-6H2,1-4H3,(H,13,17)(H,14,15,16)
InChIKeyOFNMVWYKGCYVBI-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.94
Rot. Bonds4

About 2,2-dimethyl-N-[3-[(5-methyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]propanamide

2,2-dimethyl-N-[3-[(5-methyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]propanamide (PubChem CID 18155112) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2,2-dimethyl-N-[3-[(5-methyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[3-[(5-methyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]propanamide
PubChem CID18155112
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name2,2-dimethyl-N-[3-[(5-methyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]propanamide
SMILESCc1cnc(NC(=O)CCNC(=O)C(C)(C)C)s1
InChIInChI=1S/C12H19N3O2S/c1-8-7-14-11(18-8)15-9(16)5-6-13-10(17)12(2,3)4/h7H,5-6H2,1-4H3,(H,13,17)(H,14,15,16)
InChIKeyOFNMVWYKGCYVBI-UHFFFAOYSA-N
XLogP1.94
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-methyl-1,3-thiazol-2-yl)-4-oxopentanamide
CID 65416516
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CID 16795655
3-(cyclohexylcarbamoylamino)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 16622526
2-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 104936646
N-[4-[(5-methyl-1,3-thiazol-2-yl)amino]-4-oxobutyl]benzamide
CID 39768880
N-[3-[[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 18155141
3-[(2,4-dimethylphenyl)sulfonylamino]-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 17443745
2-(aminomethyl)-2-ethyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 115431582
4-(2-methoxyethoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 60567543
N-[3-(3,5-difluoroanilino)-3-oxopropyl]-2,2-dimethylpropanamide
CID 18205419
1-(3-hydroxybutyl)-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 71931128
3-(3-chloro-4-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 24555170

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[3-[(5-methyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[3-[(5-methyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]propanamide (CID 18155112) is 2,2-dimethyl-N-[3-[(5-methyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[3-[(5-methyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[3-[(5-methyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]propanamide is Cc1cnc(NC(=O)CCNC(=O)C(C)(C)C)s1.
What is the InChIKey of 2,2-dimethyl-N-[3-[(5-methyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]propanamide?
The InChIKey is OFNMVWYKGCYVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-8-7-14-11(18-8)15-9(16)5-6-13-10(17)12(2,3)4/h7H,5-6H2,1-4H3,(H,13,17)(H,14,15,16).
What are the key properties of 2,2-dimethyl-N-[3-[(5-methyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]propanamide?
2,2-dimethyl-N-[3-[(5-methyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]propanamide has a molecular weight of 269.37 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[3-[(5-methyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]propanamide is sourced from PubChem (CID 18155112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).