4-[2-[(3-aminocyclobutyl)amino]cyclopropyl]-5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide

C16H21N5OS2 — CID 118433327

IUPAC4-[2-[(3-aminocyclobutyl)amino]cyclopropyl]-5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
SMILESCc1nnc(NC(=O)c2cc(C3CC3NC3CC(N)C3)c(C)s2)s1
InChIInChI=1S/C16H21N5OS2/c1-7-11(12-5-13(12)18-10-3-9(17)4-10)6-14(23-7)15(22)19-16-21-20-8(2)24-16/h6,9-10,12-13,18H,3-5,17H2,1-2H3,(H,19,21,22)
InChIKeyQWMZMELUHXWZRR-UHFFFAOYSA-N
MW363.51 g/mol
LogP2.40
Rot. Bonds5

About 4-[2-[(3-aminocyclobutyl)amino]cyclopropyl]-5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide

4-[2-[(3-aminocyclobutyl)amino]cyclopropyl]-5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide (PubChem CID 118433327) has the molecular formula C16H21N5OS2 and a molecular weight of 363.51 g/mol. Its IUPAC name is 4-[2-[(3-aminocyclobutyl)amino]cyclopropyl]-5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[2-[(3-aminocyclobutyl)amino]cyclopropyl]-5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
PubChem CID118433327
Molecular FormulaC16H21N5OS2
Molecular Weight363.51 g/mol
Exact Mass363.12
IUPAC Name4-[2-[(3-aminocyclobutyl)amino]cyclopropyl]-5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
SMILESCc1nnc(NC(=O)c2cc(C3CC3NC3CC(N)C3)c(C)s2)s1
InChIInChI=1S/C16H21N5OS2/c1-7-11(12-5-13(12)18-10-3-9(17)4-10)6-14(23-7)15(22)19-16-21-20-8(2)24-16/h6,9-10,12-13,18H,3-5,17H2,1-2H3,(H,19,21,22)
InChIKeyQWMZMELUHXWZRR-UHFFFAOYSA-N
XLogP2.40
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[2-[(3-aminocyclobutyl)amino]cyclopropyl]-5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-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-[2-[(3-aminocyclobutyl)amino]cyclopropyl]-5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of 4-[2-[(3-aminocyclobutyl)amino]cyclopropyl]-5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide (CID 118433327) is 4-[2-[(3-aminocyclobutyl)amino]cyclopropyl]-5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 4-[2-[(3-aminocyclobutyl)amino]cyclopropyl]-5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 4-[2-[(3-aminocyclobutyl)amino]cyclopropyl]-5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide is Cc1nnc(NC(=O)c2cc(C3CC3NC3CC(N)C3)c(C)s2)s1.
What is the InChIKey of 4-[2-[(3-aminocyclobutyl)amino]cyclopropyl]-5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is QWMZMELUHXWZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5OS2/c1-7-11(12-5-13(12)18-10-3-9(17)4-10)6-14(23-7)15(22)19-16-21-20-8(2)24-16/h6,9-10,12-13,18H,3-5,17H2,1-2H3,(H,19,21,22).
What are the key properties of 4-[2-[(3-aminocyclobutyl)amino]cyclopropyl]-5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
4-[2-[(3-aminocyclobutyl)amino]cyclopropyl]-5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 363.51 g/mol, XLogP of 2.40, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3-aminocyclobutyl)amino]cyclopropyl]-5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 118433327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).