2-(3,4-dihydro-2H-chromen-6-yl)-4-methyl-1,3-thiazole

C13H13NOS — CID 116891920

IUPAC2-(3,4-dihydro-2H-chromen-6-yl)-4-methyl-1,3-thiazole
SMILESCc1csc(-c2ccc3c(c2)CCCO3)n1
InChIInChI=1S/C13H13NOS/c1-9-8-16-13(14-9)11-4-5-12-10(7-11)3-2-6-15-12/h4-5,7-8H,2-3,6H2,1H3
InChIKeyPJMKYPNIKBSSCM-UHFFFAOYSA-N
MW231.32 g/mol
LogP3.44
Rot. Bonds1

About 2-(3,4-dihydro-2H-chromen-6-yl)-4-methyl-1,3-thiazole

2-(3,4-dihydro-2H-chromen-6-yl)-4-methyl-1,3-thiazole (PubChem CID 116891920) has the molecular formula C13H13NOS and a molecular weight of 231.32 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-6-yl)-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-6-yl)-4-methyl-1,3-thiazole
PubChem CID116891920
Molecular FormulaC13H13NOS
Molecular Weight231.32 g/mol
Exact Mass231.07
IUPAC Name2-(3,4-dihydro-2H-chromen-6-yl)-4-methyl-1,3-thiazole
SMILESCc1csc(-c2ccc3c(c2)CCCO3)n1
InChIInChI=1S/C13H13NOS/c1-9-8-16-13(14-9)11-4-5-12-10(7-11)3-2-6-15-12/h4-5,7-8H,2-3,6H2,1H3
InChIKeyPJMKYPNIKBSSCM-UHFFFAOYSA-N
XLogP3.44
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-4-ol
CID 116889808
2-[2-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-4-yl]acetic acid
CID 98019181
2-(2,3-dihydro-1-benzofuran-5-yl)-4-propan-2-yl-1,3-thiazole
CID 58689212
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
2-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-4-yl]propan-2-ol
CID 116890568
2-(3,4-dihydro-2H-chromen-6-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 110771186
N-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-6-carboxamide
CID 110693409
2-(2,3-dihydro-1-benzofuran-5-yl)-4-(4-methyl-3-pyridinyl)-1,3-thiazole
CID 91013706
[4-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]methanethiol
CID 116965909
[4-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]methanol
CID 116867444
4-(3,4-dihydro-2H-chromen-6-yl)-5-methyl-1,3-oxazol-2-amine
CID 116831842

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-6-yl)-4-methyl-1,3-thiazole?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-6-yl)-4-methyl-1,3-thiazole (CID 116891920) is 2-(3,4-dihydro-2H-chromen-6-yl)-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-6-yl)-4-methyl-1,3-thiazole?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-6-yl)-4-methyl-1,3-thiazole is Cc1csc(-c2ccc3c(c2)CCCO3)n1.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-6-yl)-4-methyl-1,3-thiazole?
The InChIKey is PJMKYPNIKBSSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NOS/c1-9-8-16-13(14-9)11-4-5-12-10(7-11)3-2-6-15-12/h4-5,7-8H,2-3,6H2,1H3.
What are the key properties of 2-(3,4-dihydro-2H-chromen-6-yl)-4-methyl-1,3-thiazole?
2-(3,4-dihydro-2H-chromen-6-yl)-4-methyl-1,3-thiazole has a molecular weight of 231.32 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-6-yl)-4-methyl-1,3-thiazole is sourced from PubChem (CID 116891920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).