3-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]-3-methylbutanamide

C13H25N3OS — CID 106097573

IUPAC3-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]-3-methylbutanamide
SMILESCC(C)(C)CC1CN=C(NC(C)(C)CC(N)=O)S1
InChIInChI=1S/C13H25N3OS/c1-12(2,3)6-9-8-15-11(18-9)16-13(4,5)7-10(14)17/h9H,6-8H2,1-5H3,(H2,14,17)(H,15,16)
InChIKeyBQUFNHJTJCTTAQ-UHFFFAOYSA-N
MW271.43 g/mol
LogP2.14
Rot. Bonds4

About 3-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]-3-methylbutanamide

3-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]-3-methylbutanamide (PubChem CID 106097573) has the molecular formula C13H25N3OS and a molecular weight of 271.43 g/mol. Its IUPAC name is 3-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]-3-methylbutanamide.

Molecular Properties

Compound Name3-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]-3-methylbutanamide
PubChem CID106097573
Molecular FormulaC13H25N3OS
Molecular Weight271.43 g/mol
Exact Mass271.17
IUPAC Name3-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]-3-methylbutanamide
SMILESCC(C)(C)CC1CN=C(NC(C)(C)CC(N)=O)S1
InChIInChI=1S/C13H25N3OS/c1-12(2,3)6-9-8-15-11(18-9)16-13(4,5)7-10(14)17/h9H,6-8H2,1-5H3,(H2,14,17)(H,15,16)
InChIKeyBQUFNHJTJCTTAQ-UHFFFAOYSA-N
XLogP2.14
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]-3-methylbutanamide?
The IUPAC name of 3-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]-3-methylbutanamide (CID 106097573) is 3-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]-3-methylbutanamide.
What is the SMILES notation for 3-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]-3-methylbutanamide?
The canonical SMILES for 3-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]-3-methylbutanamide is CC(C)(C)CC1CN=C(NC(C)(C)CC(N)=O)S1.
What is the InChIKey of 3-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]-3-methylbutanamide?
The InChIKey is BQUFNHJTJCTTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3OS/c1-12(2,3)6-9-8-15-11(18-9)16-13(4,5)7-10(14)17/h9H,6-8H2,1-5H3,(H2,14,17)(H,15,16).
What are the key properties of 3-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]-3-methylbutanamide?
3-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]-3-methylbutanamide has a molecular weight of 271.43 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]-3-methylbutanamide is sourced from PubChem (CID 106097573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).