N-cyclopropyl-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine

C10H12N4S3 — CID 9208602

IUPACN-cyclopropyl-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCc1nc(CSc2nnc(NC3CC3)s2)cs1
InChIInChI=1S/C10H12N4S3/c1-6-11-8(4-15-6)5-16-10-14-13-9(17-10)12-7-2-3-7/h4,7H,2-3,5H2,1H3,(H,12,13)
InChIKeyWJALHWGPJAPOON-UHFFFAOYSA-N
MW284.44 g/mol
LogP3.17
Rot. Bonds5

About N-cyclopropyl-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine

N-cyclopropyl-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 9208602) has the molecular formula C10H12N4S3 and a molecular weight of 284.44 g/mol. Its IUPAC name is N-cyclopropyl-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID9208602
Molecular FormulaC10H12N4S3
Molecular Weight284.44 g/mol
Exact Mass284.02
IUPAC NameN-cyclopropyl-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCc1nc(CSc2nnc(NC3CC3)s2)cs1
InChIInChI=1S/C10H12N4S3/c1-6-11-8(4-15-6)5-16-10-14-13-9(17-10)12-7-2-3-7/h4,7H,2-3,5H2,1H3,(H,12,13)
InChIKeyWJALHWGPJAPOON-UHFFFAOYSA-N
XLogP3.17
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-cyclopropyl-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine (CID 9208602) is N-cyclopropyl-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-cyclopropyl-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-cyclopropyl-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine is Cc1nc(CSc2nnc(NC3CC3)s2)cs1.
What is the InChIKey of N-cyclopropyl-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is WJALHWGPJAPOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4S3/c1-6-11-8(4-15-6)5-16-10-14-13-9(17-10)12-7-2-3-7/h4,7H,2-3,5H2,1H3,(H,12,13).
What are the key properties of N-cyclopropyl-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
N-cyclopropyl-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 284.44 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 9208602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).