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

C12H12N4S3 — CID 82424489

IUPACN-propyl-5-(2-thiophen-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(-c2cnc(-c3cccs3)s2)s1
InChIInChI=1S/C12H12N4S3/c1-2-5-13-12-16-15-11(19-12)9-7-14-10(18-9)8-4-3-6-17-8/h3-4,6-7H,2,5H2,1H3,(H,13,16)
InChIKeyUDQOEGBMWSSNBL-UHFFFAOYSA-N
MW308.46 g/mol
LogP4.21
Rot. Bonds5

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

N-propyl-5-(2-thiophen-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 82424489) has the molecular formula C12H12N4S3 and a molecular weight of 308.46 g/mol. Its IUPAC name is N-propyl-5-(2-thiophen-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-propyl-5-(2-thiophen-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
PubChem CID82424489
Molecular FormulaC12H12N4S3
Molecular Weight308.46 g/mol
Exact Mass308.02
IUPAC NameN-propyl-5-(2-thiophen-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(-c2cnc(-c3cccs3)s2)s1
InChIInChI=1S/C12H12N4S3/c1-2-5-13-12-16-15-11(19-12)9-7-14-10(18-9)8-4-3-6-17-8/h3-4,6-7H,2,5H2,1H3,(H,13,16)
InChIKeyUDQOEGBMWSSNBL-UHFFFAOYSA-N
XLogP4.21
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
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

N-(5-Methyl-thiazol-2-yl)-2-(4-methyl-5-thiophen-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 646372
N-methyl-2-(5-methyl-1,3-thiazol-2-yl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]ethanamine
CID 86787274
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-N'-[5-(2-thienyl)-1,3,4-thiadiazol-2-yl]urea
CID 46989050
4-methyl-5-(1-methylpyrazol-3-yl)-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine
CID 126467469
N-ethyl-5-(2-thiophen-2-yl-1,3-thiazol-4-yl)-1,3,4-thiadiazol-2-amine
CID 11779240
N-[5-(2-methyltetrazol-5-yl)thiophen-2-yl]-1,3-thiazol-2-amine
CID 90828842
N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 176585376
2-ethyl-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]tetrazol-5-amine
CID 30852464
N-propyl-5-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 46826460
1-[2-(4-Methyl-1,3-thiazol-5-yl)ethyl]-3-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)urea
CID 46982639
N-[2-(1,3-thiazol-2-yl)ethyl]-N'-[5-(2-thienyl)-1,3,4-thiadiazol-2-yl]urea
CID 46982971
4-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione
CID 54964690

Frequently Asked Questions

What is the IUPAC name of N-propyl-5-(2-thiophen-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-propyl-5-(2-thiophen-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine (CID 82424489) is N-propyl-5-(2-thiophen-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-propyl-5-(2-thiophen-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-propyl-5-(2-thiophen-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine is CCCNc1nnc(-c2cnc(-c3cccs3)s2)s1.
What is the InChIKey of N-propyl-5-(2-thiophen-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is UDQOEGBMWSSNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4S3/c1-2-5-13-12-16-15-11(19-12)9-7-14-10(18-9)8-4-3-6-17-8/h3-4,6-7H,2,5H2,1H3,(H,13,16).
What are the key properties of N-propyl-5-(2-thiophen-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine?
N-propyl-5-(2-thiophen-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 308.46 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-5-(2-thiophen-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 82424489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).