N-methyl-5-[2-[2-(propylamino)-1,3-thiazol-5-yl]ethyl]-1,3-thiazol-2-amine

C12H18N4S2 — CID 79774348

IUPACN-methyl-5-[2-[2-(propylamino)-1,3-thiazol-5-yl]ethyl]-1,3-thiazol-2-amine
SMILESCCCNc1ncc(CCc2cnc(NC)s2)s1
InChIInChI=1S/C12H18N4S2/c1-3-6-14-12-16-8-10(18-12)5-4-9-7-15-11(13-2)17-9/h7-8H,3-6H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyLLIVUBONIFEDSZ-UHFFFAOYSA-N
MW282.44 g/mol
LogP3.25
Rot. Bonds7

About N-methyl-5-[2-[2-(propylamino)-1,3-thiazol-5-yl]ethyl]-1,3-thiazol-2-amine

N-methyl-5-[2-[2-(propylamino)-1,3-thiazol-5-yl]ethyl]-1,3-thiazol-2-amine (PubChem CID 79774348) has the molecular formula C12H18N4S2 and a molecular weight of 282.44 g/mol. Its IUPAC name is N-methyl-5-[2-[2-(propylamino)-1,3-thiazol-5-yl]ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-5-[2-[2-(propylamino)-1,3-thiazol-5-yl]ethyl]-1,3-thiazol-2-amine
PubChem CID79774348
Molecular FormulaC12H18N4S2
Molecular Weight282.44 g/mol
Exact Mass282.10
IUPAC NameN-methyl-5-[2-[2-(propylamino)-1,3-thiazol-5-yl]ethyl]-1,3-thiazol-2-amine
SMILESCCCNc1ncc(CCc2cnc(NC)s2)s1
InChIInChI=1S/C12H18N4S2/c1-3-6-14-12-16-8-10(18-12)5-4-9-7-15-11(13-2)17-9/h7-8H,3-6H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyLLIVUBONIFEDSZ-UHFFFAOYSA-N
XLogP3.25
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.44
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[2-[2-(propylamino)-1,3-thiazol-5-yl]ethyl]-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-5-[2-[2-(propylamino)-1,3-thiazol-5-yl]ethyl]-1,3-thiazol-2-amine (CID 79774348) is N-methyl-5-[2-[2-(propylamino)-1,3-thiazol-5-yl]ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-5-[2-[2-(propylamino)-1,3-thiazol-5-yl]ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-5-[2-[2-(propylamino)-1,3-thiazol-5-yl]ethyl]-1,3-thiazol-2-amine is CCCNc1ncc(CCc2cnc(NC)s2)s1.
What is the InChIKey of N-methyl-5-[2-[2-(propylamino)-1,3-thiazol-5-yl]ethyl]-1,3-thiazol-2-amine?
The InChIKey is LLIVUBONIFEDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S2/c1-3-6-14-12-16-8-10(18-12)5-4-9-7-15-11(13-2)17-9/h7-8H,3-6H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of N-methyl-5-[2-[2-(propylamino)-1,3-thiazol-5-yl]ethyl]-1,3-thiazol-2-amine?
N-methyl-5-[2-[2-(propylamino)-1,3-thiazol-5-yl]ethyl]-1,3-thiazol-2-amine has a molecular weight of 282.44 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[2-[2-(propylamino)-1,3-thiazol-5-yl]ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 79774348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).