N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-ylmethyl)cyclopropanamine

C14H14N2S2 — CID 55129800

IUPACN-(4H-thiochromeno[4,3-d][1,3]thiazol-2-ylmethyl)cyclopropanamine
SMILESc1ccc2c(c1)SCc1sc(CNC3CC3)nc1-2
InChIInChI=1S/C14H14N2S2/c1-2-4-11-10(3-1)14-12(8-17-11)18-13(16-14)7-15-9-5-6-9/h1-4,9,15H,5-8H2
InChIKeyBGLXVOFJBWVUMY-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.67
Rot. Bonds3

About N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-ylmethyl)cyclopropanamine

N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-ylmethyl)cyclopropanamine (PubChem CID 55129800) has the molecular formula C14H14N2S2 and a molecular weight of 274.41 g/mol. Its IUPAC name is N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-(4H-thiochromeno[4,3-d][1,3]thiazol-2-ylmethyl)cyclopropanamine
PubChem CID55129800
Molecular FormulaC14H14N2S2
Molecular Weight274.41 g/mol
Exact Mass274.06
IUPAC NameN-(4H-thiochromeno[4,3-d][1,3]thiazol-2-ylmethyl)cyclopropanamine
SMILESc1ccc2c(c1)SCc1sc(CNC3CC3)nc1-2
InChIInChI=1S/C14H14N2S2/c1-2-4-11-10(3-1)14-12(8-17-11)18-13(16-14)7-15-9-5-6-9/h1-4,9,15H,5-8H2
InChIKeyBGLXVOFJBWVUMY-UHFFFAOYSA-N
XLogP3.67
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 114994384
1-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)ethanamine
CID 61336636
2-(2,4-dimethylphenyl)-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)acetamide
CID 8670561
2-propyl-4,5-dihydro-[1]benzothiepino[5,4-d][1,3]thiazole
CID 139763464
2-naphthalen-2-yl-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)acetamide
CID 16849393
N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)-4-[4-(4H-thiochromeno[4,3-d][1,3]thiazol-2-ylcarbamoyl)phenoxy]benzamide
CID 5154304
N-[(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]cyclopropanamine
CID 62542862
4-(1,3-benzothiazol-2-ylmethylamino)cyclohexan-1-ol
CID 103603751
3-fluoro-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide
CID 3290409
N-(1,3-benzothiazol-2-ylmethyl)-3-methylcyclopentan-1-amine
CID 64501242
N-[(4-methyl-1,3-benzothiazol-2-yl)methyl]cyclopropanamine
CID 79146631
N-[(5-naphthalen-1-yl-1,3-thiazol-2-yl)methyl]cyclohexanamine
CID 53272820

Frequently Asked Questions

What is the IUPAC name of N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-ylmethyl)cyclopropanamine?
The IUPAC name of N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-ylmethyl)cyclopropanamine (CID 55129800) is N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-ylmethyl)cyclopropanamine?
The canonical SMILES for N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-ylmethyl)cyclopropanamine is c1ccc2c(c1)SCc1sc(CNC3CC3)nc1-2.
What is the InChIKey of N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-ylmethyl)cyclopropanamine?
The InChIKey is BGLXVOFJBWVUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2S2/c1-2-4-11-10(3-1)14-12(8-17-11)18-13(16-14)7-15-9-5-6-9/h1-4,9,15H,5-8H2.
What are the key properties of N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-ylmethyl)cyclopropanamine?
N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-ylmethyl)cyclopropanamine has a molecular weight of 274.41 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-ylmethyl)cyclopropanamine is sourced from PubChem (CID 55129800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).