4-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydrothiochromen-4-amine

C13H14N2S2 — CID 43558980

IUPAC4-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydrothiochromen-4-amine
SMILESCc1cnc(C2(N)CCSc3ccccc32)s1
InChIInChI=1S/C13H14N2S2/c1-9-8-15-12(17-9)13(14)6-7-16-11-5-3-2-4-10(11)13/h2-5,8H,6-7,14H2,1H3
InChIKeyBNEILAVJZRUENU-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.15
Rot. Bonds1

About 4-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydrothiochromen-4-amine

4-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydrothiochromen-4-amine (PubChem CID 43558980) has the molecular formula C13H14N2S2 and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydrothiochromen-4-amine.

Molecular Properties

Compound Name4-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydrothiochromen-4-amine
PubChem CID43558980
Molecular FormulaC13H14N2S2
Molecular Weight262.40 g/mol
Exact Mass262.06
IUPAC Name4-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydrothiochromen-4-amine
SMILESCc1cnc(C2(N)CCSc3ccccc32)s1
InChIInChI=1S/C13H14N2S2/c1-9-8-15-12(17-9)13(14)6-7-16-11-5-3-2-4-10(11)13/h2-5,8H,6-7,14H2,1H3
InChIKeyBNEILAVJZRUENU-UHFFFAOYSA-N
XLogP3.15
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydrothiochromen-4-amine?
The IUPAC name of 4-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydrothiochromen-4-amine (CID 43558980) is 4-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydrothiochromen-4-amine.
What is the SMILES notation for 4-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydrothiochromen-4-amine?
The canonical SMILES for 4-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydrothiochromen-4-amine is Cc1cnc(C2(N)CCSc3ccccc32)s1.
What is the InChIKey of 4-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydrothiochromen-4-amine?
The InChIKey is BNEILAVJZRUENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2S2/c1-9-8-15-12(17-9)13(14)6-7-16-11-5-3-2-4-10(11)13/h2-5,8H,6-7,14H2,1H3.
What are the key properties of 4-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydrothiochromen-4-amine?
4-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydrothiochromen-4-amine has a molecular weight of 262.40 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydrothiochromen-4-amine is sourced from PubChem (CID 43558980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).