N-propyl-5-(pyrimidin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine

C10H13N5S2 — CID 119047027

IUPACN-propyl-5-(pyrimidin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(SCc2ncccn2)s1
InChIInChI=1S/C10H13N5S2/c1-2-4-13-9-14-15-10(17-9)16-7-8-11-5-3-6-12-8/h3,5-6H,2,4,7H2,1H3,(H,13,14)
InChIKeyFECBUYLFQLJZHQ-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.44
Rot. Bonds6

About N-propyl-5-(pyrimidin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine

N-propyl-5-(pyrimidin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine (PubChem CID 119047027) has the molecular formula C10H13N5S2 and a molecular weight of 267.38 g/mol. Its IUPAC name is N-propyl-5-(pyrimidin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-propyl-5-(pyrimidin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
PubChem CID119047027
Molecular FormulaC10H13N5S2
Molecular Weight267.38 g/mol
Exact Mass267.06
IUPAC NameN-propyl-5-(pyrimidin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(SCc2ncccn2)s1
InChIInChI=1S/C10H13N5S2/c1-2-4-13-9-14-15-10(17-9)16-7-8-11-5-3-6-12-8/h3,5-6H,2,4,7H2,1H3,(H,13,14)
InChIKeyFECBUYLFQLJZHQ-UHFFFAOYSA-N
XLogP2.44
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-propyl-5-(pyrimidin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine 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

CID 2145071
CID 2145071
CID 2145072
CID 2145072
CID 134133048
CID 134133048
CID 134141651
CID 134141651
CID 2928978
CID 2928978
CID 134144982
CID 134144982
CID 709550
CID 709550
CID 1075880
CID 1075880
CID 2145070
CID 2145070
CID 7423830
CID 7423830
CID 72892782
CID 72892782
CID 2040489
CID 2040489

Frequently Asked Questions

What is the IUPAC name of N-propyl-5-(pyrimidin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-propyl-5-(pyrimidin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine (CID 119047027) is N-propyl-5-(pyrimidin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-propyl-5-(pyrimidin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-propyl-5-(pyrimidin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine is CCCNc1nnc(SCc2ncccn2)s1.
What is the InChIKey of N-propyl-5-(pyrimidin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is FECBUYLFQLJZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5S2/c1-2-4-13-9-14-15-10(17-9)16-7-8-11-5-3-6-12-8/h3,5-6H,2,4,7H2,1H3,(H,13,14).
What are the key properties of N-propyl-5-(pyrimidin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine?
N-propyl-5-(pyrimidin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 267.38 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-5-(pyrimidin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 119047027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).