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

C10H14N4S2 — CID 82425771

IUPACN-methyl-5-(4-methyl-2-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
SMILESCCCc1nc(C)c(-c2nnc(NC)s2)s1
InChIInChI=1S/C10H14N4S2/c1-4-5-7-12-6(2)8(15-7)9-13-14-10(11-3)16-9/h4-5H2,1-3H3,(H,11,14)
InChIKeyNZFJGKKSDCDGCG-UHFFFAOYSA-N
MW254.38 g/mol
LogP2.96
Rot. Bonds4

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

N-methyl-5-(4-methyl-2-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 82425771) has the molecular formula C10H14N4S2 and a molecular weight of 254.38 g/mol. Its IUPAC name is N-methyl-5-(4-methyl-2-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-methyl-5-(4-methyl-2-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
PubChem CID82425771
Molecular FormulaC10H14N4S2
Molecular Weight254.38 g/mol
Exact Mass254.07
IUPAC NameN-methyl-5-(4-methyl-2-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
SMILESCCCc1nc(C)c(-c2nnc(NC)s2)s1
InChIInChI=1S/C10H14N4S2/c1-4-5-7-12-6(2)8(15-7)9-13-14-10(11-3)16-9/h4-5H2,1-3H3,(H,11,14)
InChIKeyNZFJGKKSDCDGCG-UHFFFAOYSA-N
XLogP2.96
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(4-methyl-2-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-methyl-5-(4-methyl-2-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine (CID 82425771) is N-methyl-5-(4-methyl-2-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-methyl-5-(4-methyl-2-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-methyl-5-(4-methyl-2-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine is CCCc1nc(C)c(-c2nnc(NC)s2)s1.
What is the InChIKey of N-methyl-5-(4-methyl-2-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is NZFJGKKSDCDGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4S2/c1-4-5-7-12-6(2)8(15-7)9-13-14-10(11-3)16-9/h4-5H2,1-3H3,(H,11,14).
What are the key properties of N-methyl-5-(4-methyl-2-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine?
N-methyl-5-(4-methyl-2-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 254.38 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(4-methyl-2-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 82425771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).