5-(dimethylcarbamoylamino)-3-heptan-3-yl-1,2-thiazole-4-carboxamide

C14H24N4O2S — CID 134096875

IUPAC5-(dimethylcarbamoylamino)-3-heptan-3-yl-1,2-thiazole-4-carboxamide
SMILESCCCCC(CC)c1nsc(NC(=O)N(C)C)c1C(N)=O
InChIInChI=1S/C14H24N4O2S/c1-5-7-8-9(6-2)11-10(12(15)19)13(21-17-11)16-14(20)18(3)4/h9H,5-8H2,1-4H3,(H2,15,19)(H,16,20)
InChIKeyNUVDBGOPPRJFEE-UHFFFAOYSA-N
MW312.44 g/mol
LogP3.02
Rot. Bonds7

About 5-(dimethylcarbamoylamino)-3-heptan-3-yl-1,2-thiazole-4-carboxamide

5-(dimethylcarbamoylamino)-3-heptan-3-yl-1,2-thiazole-4-carboxamide (PubChem CID 134096875) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is 5-(dimethylcarbamoylamino)-3-heptan-3-yl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-(dimethylcarbamoylamino)-3-heptan-3-yl-1,2-thiazole-4-carboxamide
PubChem CID134096875
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name5-(dimethylcarbamoylamino)-3-heptan-3-yl-1,2-thiazole-4-carboxamide
SMILESCCCCC(CC)c1nsc(NC(=O)N(C)C)c1C(N)=O
InChIInChI=1S/C14H24N4O2S/c1-5-7-8-9(6-2)11-10(12(15)19)13(21-17-11)16-14(20)18(3)4/h9H,5-8H2,1-4H3,(H2,15,19)(H,16,20)
InChIKeyNUVDBGOPPRJFEE-UHFFFAOYSA-N
XLogP3.02
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(dimethylcarbamoylamino)-3-heptan-3-yl-1,2-thiazole-4-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 5-(dimethylcarbamoylamino)-3-heptan-3-yl-1,2-thiazole-4-carboxamide?
The IUPAC name of 5-(dimethylcarbamoylamino)-3-heptan-3-yl-1,2-thiazole-4-carboxamide (CID 134096875) is 5-(dimethylcarbamoylamino)-3-heptan-3-yl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 5-(dimethylcarbamoylamino)-3-heptan-3-yl-1,2-thiazole-4-carboxamide?
The canonical SMILES for 5-(dimethylcarbamoylamino)-3-heptan-3-yl-1,2-thiazole-4-carboxamide is CCCCC(CC)c1nsc(NC(=O)N(C)C)c1C(N)=O.
What is the InChIKey of 5-(dimethylcarbamoylamino)-3-heptan-3-yl-1,2-thiazole-4-carboxamide?
The InChIKey is NUVDBGOPPRJFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-5-7-8-9(6-2)11-10(12(15)19)13(21-17-11)16-14(20)18(3)4/h9H,5-8H2,1-4H3,(H2,15,19)(H,16,20).
What are the key properties of 5-(dimethylcarbamoylamino)-3-heptan-3-yl-1,2-thiazole-4-carboxamide?
5-(dimethylcarbamoylamino)-3-heptan-3-yl-1,2-thiazole-4-carboxamide has a molecular weight of 312.44 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylcarbamoylamino)-3-heptan-3-yl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 134096875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).