1-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)ethanamine

C12H12N2S2 — CID 61336636

IUPAC1-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)ethanamine
SMILESCC(N)c1nc2c(s1)CSc1ccccc1-2
InChIInChI=1S/C12H12N2S2/c1-7(13)12-14-11-8-4-2-3-5-9(8)15-6-10(11)16-12/h2-5,7H,6,13H2,1H3
InChIKeyYNZZVVWJWIKESY-UHFFFAOYSA-N
MW248.38 g/mol
LogP3.44
Rot. Bonds1

About 1-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)ethanamine

1-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)ethanamine (PubChem CID 61336636) has the molecular formula C12H12N2S2 and a molecular weight of 248.38 g/mol. Its IUPAC name is 1-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)ethanamine
PubChem CID61336636
Molecular FormulaC12H12N2S2
Molecular Weight248.38 g/mol
Exact Mass248.04
IUPAC Name1-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)ethanamine
SMILESCC(N)c1nc2c(s1)CSc1ccccc1-2
InChIInChI=1S/C12H12N2S2/c1-7(13)12-14-11-8-4-2-3-5-9(8)15-6-10(11)16-12/h2-5,7H,6,13H2,1H3
InChIKeyYNZZVVWJWIKESY-UHFFFAOYSA-N
XLogP3.44
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.38
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4H-thiochromeno[4,3-d][1,3]thiazol-2-amine
CID 5010952
(2E)-2-(4H-thiochromeno[4,3-d][1,3]thiazol-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 136245081
(2-Phenyl-1,3-thiazol-4-yl)methanamine
CID 736526
(5-Methyl-4-phenyl-1,3-thiazol-2-yl)methanamine
CID 3506452
(4-Methyl-2-phenyl-1,3-thiazol-5-yl)methanamine
CID 2795495
N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)methanamine
CID 600157
2-phenyl-4H,5H,6H,7H-(1,3)thiazolo(5,4-c)pyridine
CID 22337487
1-(4-Phenyl-1,3-thiazol-2-yl)ethan-1-amine hydrochloride
CID 50988112
2-(5-Methyl-4-phenyl-1,3-thiazol-2-yl)ethan-1-amine dihydrochloride
CID 54595017
N,4-Dimethyl-2-phenyl-5-thiazolemethanamine
CID 4961253
(R)-1-phenyl-N-((4-phenyl-1,3-thiazol-2-yl)methyl)ethanamine
CID 45484067
4,5,6,7-Tetrahydro-2-phenyl-7-benzothiazolamine
CID 20982838

Frequently Asked Questions

What is the IUPAC name of 1-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)ethanamine?
The IUPAC name of 1-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)ethanamine (CID 61336636) is 1-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)ethanamine.
What is the SMILES notation for 1-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)ethanamine?
The canonical SMILES for 1-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)ethanamine is CC(N)c1nc2c(s1)CSc1ccccc1-2.
What is the InChIKey of 1-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)ethanamine?
The InChIKey is YNZZVVWJWIKESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2S2/c1-7(13)12-14-11-8-4-2-3-5-9(8)15-6-10(11)16-12/h2-5,7H,6,13H2,1H3.
What are the key properties of 1-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)ethanamine?
1-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)ethanamine has a molecular weight of 248.38 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)ethanamine is sourced from PubChem (CID 61336636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).