1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea

C12H19N7OS — CID 71981676

IUPAC1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea
SMILESCC(Cn1cncn1)NC(=O)NCc1csc(N(C)C)n1
InChIInChI=1S/C12H19N7OS/c1-9(5-19-8-13-7-15-19)16-11(20)14-4-10-6-21-12(17-10)18(2)3/h6-9H,4-5H2,1-3H3,(H2,14,16,20)
InChIKeyZQGCYTXLOGHRQG-UHFFFAOYSA-N
MW309.40 g/mol
LogP0.69
Rot. Bonds6

About 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea

1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea (PubChem CID 71981676) has the molecular formula C12H19N7OS and a molecular weight of 309.40 g/mol. Its IUPAC name is 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea.

Molecular Properties

Compound Name1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea
PubChem CID71981676
Molecular FormulaC12H19N7OS
Molecular Weight309.40 g/mol
Exact Mass309.14
IUPAC Name1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea
SMILESCC(Cn1cncn1)NC(=O)NCc1csc(N(C)C)n1
InChIInChI=1S/C12H19N7OS/c1-9(5-19-8-13-7-15-19)16-11(20)14-4-10-6-21-12(17-10)18(2)3/h6-9H,4-5H2,1-3H3,(H2,14,16,20)
InChIKeyZQGCYTXLOGHRQG-UHFFFAOYSA-N
XLogP0.69
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea with MolForge

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

Launch Full Analysis

Related Compounds

1-[4-(4-Methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 37845262
1-[4-(4-Methyl-1,3-thiazol-2-yl)piperazin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 53506599
N-[4-[[2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 53587787
N-methyl-N-[4-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 53589778
N-ethyl-N-[4-[[2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 53609870
N-methyl-N-[4-[[2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 53616641
N-[4-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 56802691
N-ethyl-N-[4-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 56802704
1-[4-(4-Methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
CID 56819122
1-[4-(4-Methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 56819125
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(1H-1,2,4-triazol-1-yl)propan-2-amine
CID 50954365
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1-(1H-1,2,4-triazol-1-yl)propan-2-amine
CID 56706870

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea?
The IUPAC name of 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea (CID 71981676) is 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea.
What is the SMILES notation for 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea?
The canonical SMILES for 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea is CC(Cn1cncn1)NC(=O)NCc1csc(N(C)C)n1.
What is the InChIKey of 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea?
The InChIKey is ZQGCYTXLOGHRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N7OS/c1-9(5-19-8-13-7-15-19)16-11(20)14-4-10-6-21-12(17-10)18(2)3/h6-9H,4-5H2,1-3H3,(H2,14,16,20).
What are the key properties of 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea?
1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea has a molecular weight of 309.40 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea is sourced from PubChem (CID 71981676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).