4-amino-N-methyl-N-(2-methyloxolan-3-yl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide

C14H24N4O2S — CID 116671933

IUPAC4-amino-N-methyl-N-(2-methyloxolan-3-yl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
SMILESCCCN(C)c1nc(N)c(C(=O)N(C)C2CCOC2C)s1
InChIInChI=1S/C14H24N4O2S/c1-5-7-17(3)14-16-12(15)11(21-14)13(19)18(4)10-6-8-20-9(10)2/h9-10H,5-8,15H2,1-4H3
InChIKeyVCUYTMLNQLQTLB-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.82
Rot. Bonds5

About 4-amino-N-methyl-N-(2-methyloxolan-3-yl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide

4-amino-N-methyl-N-(2-methyloxolan-3-yl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide (PubChem CID 116671933) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is 4-amino-N-methyl-N-(2-methyloxolan-3-yl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-(2-methyloxolan-3-yl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
PubChem CID116671933
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name4-amino-N-methyl-N-(2-methyloxolan-3-yl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
SMILESCCCN(C)c1nc(N)c(C(=O)N(C)C2CCOC2C)s1
InChIInChI=1S/C14H24N4O2S/c1-5-7-17(3)14-16-12(15)11(21-14)13(19)18(4)10-6-8-20-9(10)2/h9-10H,5-8,15H2,1-4H3
InChIKeyVCUYTMLNQLQTLB-UHFFFAOYSA-N
XLogP1.82
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-amino-N-methyl-N-(2-methyloxolan-3-yl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-(2-methyloxolan-3-yl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-methyl-N-(2-methyloxolan-3-yl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide (CID 116671933) is 4-amino-N-methyl-N-(2-methyloxolan-3-yl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-methyl-N-(2-methyloxolan-3-yl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-methyl-N-(2-methyloxolan-3-yl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide is CCCN(C)c1nc(N)c(C(=O)N(C)C2CCOC2C)s1.
What is the InChIKey of 4-amino-N-methyl-N-(2-methyloxolan-3-yl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide?
The InChIKey is VCUYTMLNQLQTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-5-7-17(3)14-16-12(15)11(21-14)13(19)18(4)10-6-8-20-9(10)2/h9-10H,5-8,15H2,1-4H3.
What are the key properties of 4-amino-N-methyl-N-(2-methyloxolan-3-yl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide?
4-amino-N-methyl-N-(2-methyloxolan-3-yl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide has a molecular weight of 312.44 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-(2-methyloxolan-3-yl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116671933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).