tert-butyl N-[3-[1-(butanoylamino)propan-2-yl]-1,2,4-thiadiazol-5-yl]carbamate

C14H24N4O3S — CID 90954427

IUPACtert-butyl N-[3-[1-(butanoylamino)propan-2-yl]-1,2,4-thiadiazol-5-yl]carbamate
SMILESCCCC(=O)NCC(C)c1nsc(NC(=O)OC(C)(C)C)n1
InChIInChI=1S/C14H24N4O3S/c1-6-7-10(19)15-8-9(2)11-16-12(22-18-11)17-13(20)21-14(3,4)5/h9H,6-8H2,1-5H3,(H,15,19)(H,16,17,18,20)
InChIKeyKFGJBNFVNHVXHI-UHFFFAOYSA-N
MW328.44 g/mol
LogP2.90
Rot. Bonds6

About tert-butyl N-[3-[1-(butanoylamino)propan-2-yl]-1,2,4-thiadiazol-5-yl]carbamate

tert-butyl N-[3-[1-(butanoylamino)propan-2-yl]-1,2,4-thiadiazol-5-yl]carbamate (PubChem CID 90954427) has the molecular formula C14H24N4O3S and a molecular weight of 328.44 g/mol. Its IUPAC name is tert-butyl N-[3-[1-(butanoylamino)propan-2-yl]-1,2,4-thiadiazol-5-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[1-(butanoylamino)propan-2-yl]-1,2,4-thiadiazol-5-yl]carbamate
PubChem CID90954427
Molecular FormulaC14H24N4O3S
Molecular Weight328.44 g/mol
Exact Mass328.16
IUPAC Nametert-butyl N-[3-[1-(butanoylamino)propan-2-yl]-1,2,4-thiadiazol-5-yl]carbamate
SMILESCCCC(=O)NCC(C)c1nsc(NC(=O)OC(C)(C)C)n1
InChIInChI=1S/C14H24N4O3S/c1-6-7-10(19)15-8-9(2)11-16-12(22-18-11)17-13(20)21-14(3,4)5/h9H,6-8H2,1-5H3,(H,15,19)(H,16,17,18,20)
InChIKeyKFGJBNFVNHVXHI-UHFFFAOYSA-N
XLogP2.90
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[3-[1-(butanoylamino)propan-2-yl]-1,2,4-thiadiazol-5-yl]carbamate 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

2-amino-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,4-thiadiazol-3-yl]acetic acid
CID 83826109
tert-butyl N-(3-chloro-1,2,4-thiadiazol-5-yl)carbamate
CID 67062698
tert-butyl N-[2-(butanoylamino)ethyl]carbamate
CID 88931890
tert-butyl N-[3-(2-phenylethenyl)-1,2,4-thiadiazol-5-yl]carbamate
CID 175557533
tert-butyl N-[5-(butanoylamino)pentyl]carbamate
CID 90324113
tert-butyl N-[3-[[(2R)-2-hydroxypropyl]amino]-3-oxopropyl]carbamate
CID 139351800
tert-butyl N-[4-oxo-4-[[(2S)-2-phenylpropyl]amino]butyl]carbamate
CID 9427328
tert-butyl N-[3-[3-(butanoylamino)propylamino]propyl]carbamate
CID 163381103
tert-butyl N-(4-propan-2-yl-1,3-thiazol-2-yl)carbamate
CID 65142790
propan-2-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylate
CID 133058956
tert-butyl N-[3-(4-methylsulfonylphenyl)-1,2,4-thiadiazol-5-yl]carbamate
CID 68743050
1-O-ethyl 3-O-methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]propanedioate
CID 139735139

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[1-(butanoylamino)propan-2-yl]-1,2,4-thiadiazol-5-yl]carbamate?
The IUPAC name of tert-butyl N-[3-[1-(butanoylamino)propan-2-yl]-1,2,4-thiadiazol-5-yl]carbamate (CID 90954427) is tert-butyl N-[3-[1-(butanoylamino)propan-2-yl]-1,2,4-thiadiazol-5-yl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[1-(butanoylamino)propan-2-yl]-1,2,4-thiadiazol-5-yl]carbamate?
The canonical SMILES for tert-butyl N-[3-[1-(butanoylamino)propan-2-yl]-1,2,4-thiadiazol-5-yl]carbamate is CCCC(=O)NCC(C)c1nsc(NC(=O)OC(C)(C)C)n1.
What is the InChIKey of tert-butyl N-[3-[1-(butanoylamino)propan-2-yl]-1,2,4-thiadiazol-5-yl]carbamate?
The InChIKey is KFGJBNFVNHVXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3S/c1-6-7-10(19)15-8-9(2)11-16-12(22-18-11)17-13(20)21-14(3,4)5/h9H,6-8H2,1-5H3,(H,15,19)(H,16,17,18,20).
What are the key properties of tert-butyl N-[3-[1-(butanoylamino)propan-2-yl]-1,2,4-thiadiazol-5-yl]carbamate?
tert-butyl N-[3-[1-(butanoylamino)propan-2-yl]-1,2,4-thiadiazol-5-yl]carbamate has a molecular weight of 328.44 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[1-(butanoylamino)propan-2-yl]-1,2,4-thiadiazol-5-yl]carbamate is sourced from PubChem (CID 90954427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).