1-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]methyl]-3-[2-methyl-1-(oxolan-3-yl)propan-2-yl]urea

C14H24N4O3S — CID 167985839

IUPAC1-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]methyl]-3-[2-methyl-1-(oxolan-3-yl)propan-2-yl]urea
SMILESCOCc1nnc(CNC(=O)NC(C)(C)CC2CCOC2)s1
InChIInChI=1S/C14H24N4O3S/c1-14(2,6-10-4-5-21-8-10)16-13(19)15-7-11-17-18-12(22-11)9-20-3/h10H,4-9H2,1-3H3,(H2,15,16,19)
InChIKeyTUOPAYHMVMDOPS-UHFFFAOYSA-N
MW328.44 g/mol
LogP1.69
Rot. Bonds7

About 1-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]methyl]-3-[2-methyl-1-(oxolan-3-yl)propan-2-yl]urea

1-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]methyl]-3-[2-methyl-1-(oxolan-3-yl)propan-2-yl]urea (PubChem CID 167985839) has the molecular formula C14H24N4O3S and a molecular weight of 328.44 g/mol. Its IUPAC name is 1-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]methyl]-3-[2-methyl-1-(oxolan-3-yl)propan-2-yl]urea.

Molecular Properties

Compound Name1-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]methyl]-3-[2-methyl-1-(oxolan-3-yl)propan-2-yl]urea
PubChem CID167985839
Molecular FormulaC14H24N4O3S
Molecular Weight328.44 g/mol
Exact Mass328.16
IUPAC Name1-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]methyl]-3-[2-methyl-1-(oxolan-3-yl)propan-2-yl]urea
SMILESCOCc1nnc(CNC(=O)NC(C)(C)CC2CCOC2)s1
InChIInChI=1S/C14H24N4O3S/c1-14(2,6-10-4-5-21-8-10)16-13(19)15-7-11-17-18-12(22-11)9-20-3/h10H,4-9H2,1-3H3,(H2,15,16,19)
InChIKeyTUOPAYHMVMDOPS-UHFFFAOYSA-N
XLogP1.69
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]methyl]-3-[2-methyl-1-(oxolan-3-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

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]methyl]-3-[2-methyl-1-(oxolan-3-yl)propan-2-yl]urea?
The IUPAC name of 1-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]methyl]-3-[2-methyl-1-(oxolan-3-yl)propan-2-yl]urea (CID 167985839) is 1-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]methyl]-3-[2-methyl-1-(oxolan-3-yl)propan-2-yl]urea.
What is the SMILES notation for 1-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]methyl]-3-[2-methyl-1-(oxolan-3-yl)propan-2-yl]urea?
The canonical SMILES for 1-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]methyl]-3-[2-methyl-1-(oxolan-3-yl)propan-2-yl]urea is COCc1nnc(CNC(=O)NC(C)(C)CC2CCOC2)s1.
What is the InChIKey of 1-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]methyl]-3-[2-methyl-1-(oxolan-3-yl)propan-2-yl]urea?
The InChIKey is TUOPAYHMVMDOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3S/c1-14(2,6-10-4-5-21-8-10)16-13(19)15-7-11-17-18-12(22-11)9-20-3/h10H,4-9H2,1-3H3,(H2,15,16,19).
What are the key properties of 1-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]methyl]-3-[2-methyl-1-(oxolan-3-yl)propan-2-yl]urea?
1-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]methyl]-3-[2-methyl-1-(oxolan-3-yl)propan-2-yl]urea has a molecular weight of 328.44 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]methyl]-3-[2-methyl-1-(oxolan-3-yl)propan-2-yl]urea is sourced from PubChem (CID 167985839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).