N-propan-2-yl-5-(2-thiophen-2-yl-1,3-thiazol-4-yl)-1,3,4-thiadiazol-2-amine

C12H12N4S3 — CID 82515802

IUPACN-propan-2-yl-5-(2-thiophen-2-yl-1,3-thiazol-4-yl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)Nc1nnc(-c2csc(-c3cccs3)n2)s1
InChIInChI=1S/C12H12N4S3/c1-7(2)13-12-16-15-10(19-12)8-6-18-11(14-8)9-4-3-5-17-9/h3-7H,1-2H3,(H,13,16)
InChIKeySRSCVVMPYGRATJ-UHFFFAOYSA-N
MW308.46 g/mol
LogP4.21
Rot. Bonds4

About N-propan-2-yl-5-(2-thiophen-2-yl-1,3-thiazol-4-yl)-1,3,4-thiadiazol-2-amine

N-propan-2-yl-5-(2-thiophen-2-yl-1,3-thiazol-4-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 82515802) has the molecular formula C12H12N4S3 and a molecular weight of 308.46 g/mol. Its IUPAC name is N-propan-2-yl-5-(2-thiophen-2-yl-1,3-thiazol-4-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-propan-2-yl-5-(2-thiophen-2-yl-1,3-thiazol-4-yl)-1,3,4-thiadiazol-2-amine
PubChem CID82515802
Molecular FormulaC12H12N4S3
Molecular Weight308.46 g/mol
Exact Mass308.02
IUPAC NameN-propan-2-yl-5-(2-thiophen-2-yl-1,3-thiazol-4-yl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)Nc1nnc(-c2csc(-c3cccs3)n2)s1
InChIInChI=1S/C12H12N4S3/c1-7(2)13-12-16-15-10(19-12)8-6-18-11(14-8)9-4-3-5-17-9/h3-7H,1-2H3,(H,13,16)
InChIKeySRSCVVMPYGRATJ-UHFFFAOYSA-N
XLogP4.21
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.46
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[2-(dimethylamino)-1,3-thiazol-4-yl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 82515098
N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-5-thiophen-2-yl-1,3,4-thiadiazol-2-amine
CID 108772112
N-propyl-5-(2-thiophen-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82424489
2-pyridin-4-yl-4-thiophen-2-yl-1,3-thiazole
CID 100596517
N-methyl-4-(2-thiophen-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 82424491
N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-5-thiophen-2-yl-1,3,4-thiadiazol-2-amine
CID 108779722
2,2-dimethyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 1080990
N-propyl-4-(2-thiophen-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 82424494
2-(2-thiophen-2-yl-1,3-thiazol-4-yl)propan-1-ol
CID 115089100
5-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 82516112
N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]butan-2-amine
CID 82515815
N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide
CID 108783410

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-5-(2-thiophen-2-yl-1,3-thiazol-4-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-propan-2-yl-5-(2-thiophen-2-yl-1,3-thiazol-4-yl)-1,3,4-thiadiazol-2-amine (CID 82515802) is N-propan-2-yl-5-(2-thiophen-2-yl-1,3-thiazol-4-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-propan-2-yl-5-(2-thiophen-2-yl-1,3-thiazol-4-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-propan-2-yl-5-(2-thiophen-2-yl-1,3-thiazol-4-yl)-1,3,4-thiadiazol-2-amine is CC(C)Nc1nnc(-c2csc(-c3cccs3)n2)s1.
What is the InChIKey of N-propan-2-yl-5-(2-thiophen-2-yl-1,3-thiazol-4-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is SRSCVVMPYGRATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4S3/c1-7(2)13-12-16-15-10(19-12)8-6-18-11(14-8)9-4-3-5-17-9/h3-7H,1-2H3,(H,13,16).
What are the key properties of N-propan-2-yl-5-(2-thiophen-2-yl-1,3-thiazol-4-yl)-1,3,4-thiadiazol-2-amine?
N-propan-2-yl-5-(2-thiophen-2-yl-1,3-thiazol-4-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 308.46 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-5-(2-thiophen-2-yl-1,3-thiazol-4-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 82515802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).