5-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-amine

C12H12N2OS — CID 61025357

IUPAC5-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-amine
SMILESNc1ncc(-c2ccc3c(c2)CCCO3)s1
InChIInChI=1S/C12H12N2OS/c13-12-14-7-11(16-12)9-3-4-10-8(6-9)2-1-5-15-10/h3-4,6-7H,1-2,5H2,(H2,13,14)
InChIKeyPMEJRPWRKWLEOZ-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.72
Rot. Bonds1

About 5-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-amine

5-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-amine (PubChem CID 61025357) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is 5-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-amine
PubChem CID61025357
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC Name5-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-amine
SMILESNc1ncc(-c2ccc3c(c2)CCCO3)s1
InChIInChI=1S/C12H12N2OS/c13-12-14-7-11(16-12)9-3-4-10-8(6-9)2-1-5-15-10/h3-4,6-7H,1-2,5H2,(H2,13,14)
InChIKeyPMEJRPWRKWLEOZ-UHFFFAOYSA-N
XLogP2.72
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,4-dihydro-2H-chromen-6-yl)pyridin-2-amine
CID 62492220
2-[5-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 96680251
4-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-amine
CID 6504218
6-[4-[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]phenyl]-3,4-dihydro-2H-chromene
CID 71339532
5-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-2-carboxylic acid
CID 71700391
[5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]methanamine
CID 82649644
4-(3,4-dihydro-2H-chromen-6-yl)-6-methylpyrimidin-5-amine
CID 82477480
3-[5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]propan-1-amine
CID 116876928
4-(3,4-dihydro-2H-chromen-6-yl)-5-propan-2-yl-1,3-oxazol-2-amine
CID 116832007
4-(3,4-dihydro-2H-chromen-6-yl)-5-methyl-1,3-oxazol-2-amine
CID 116831842
[3-(3,4-dihydro-2H-chromen-6-yl)pyrazin-2-yl]methanamine
CID 82477483
[1-[5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine
CID 116882118

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-amine (CID 61025357) is 5-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-amine is Nc1ncc(-c2ccc3c(c2)CCCO3)s1.
What is the InChIKey of 5-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-amine?
The InChIKey is PMEJRPWRKWLEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c13-12-14-7-11(16-12)9-3-4-10-8(6-9)2-1-5-15-10/h3-4,6-7H,1-2,5H2,(H2,13,14).
What are the key properties of 5-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-amine?
5-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-amine has a molecular weight of 232.31 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 61025357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).