5-[(Z)-(5-methoxy-2,3-dihydroinden-1-ylidene)methyl]-1,3-thiazole

C14H13NOS — CID 6539807

IUPAC5-[(Z)-(5-methoxy-2,3-dihydroinden-1-ylidene)methyl]-1,3-thiazole
SMILESCOc1ccc2c(c1)CC/C2=C/c1cncs1
InChIInChI=1S/C14H13NOS/c1-16-12-4-5-14-10(6-12)2-3-11(14)7-13-8-15-9-17-13/h4-9H,2-3H2,1H3/b11-7-
InChIKeyYBVSJXCRZPLUNH-XFFZJAGNSA-N
MW243.33 g/mol
LogP3.64
Rot. Bonds2

About 5-[(Z)-(5-methoxy-2,3-dihydroinden-1-ylidene)methyl]-1,3-thiazole

5-[(Z)-(5-methoxy-2,3-dihydroinden-1-ylidene)methyl]-1,3-thiazole (PubChem CID 6539807) has the molecular formula C14H13NOS and a molecular weight of 243.33 g/mol. Its IUPAC name is 5-[(Z)-(5-methoxy-2,3-dihydroinden-1-ylidene)methyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[(Z)-(5-methoxy-2,3-dihydroinden-1-ylidene)methyl]-1,3-thiazole
PubChem CID6539807
Molecular FormulaC14H13NOS
Molecular Weight243.33 g/mol
Exact Mass243.07
IUPAC Name5-[(Z)-(5-methoxy-2,3-dihydroinden-1-ylidene)methyl]-1,3-thiazole
SMILESCOc1ccc2c(c1)CC/C2=C/c1cncs1
InChIInChI=1S/C14H13NOS/c1-16-12-4-5-14-10(6-12)2-3-11(14)7-13-8-15-9-17-13/h4-9H,2-3H2,1H3/b11-7-
InChIKeyYBVSJXCRZPLUNH-XFFZJAGNSA-N
XLogP3.64
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-Thiazolemethylene)indane 27a
CID 6539806
2-Chloro-5-[[4-(1,1-dimethylethyl)phenoxy]methyl]thiazole
CID 1484591
(R)-2-(6-methoxy-3-(1-(thiazol-2-yl)ethyl)-1H-inden-2-yl)-N,N-dimethylethanamine
CID 46865978
2-Chloro-5-[(4-ethylphenoxy)methyl]-1,3-thiazole
CID 3477814
5-(4-Methoxyphenyl)thiazole
CID 69645159
5-[[(S)-[(S)-(4-methoxyphenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole
CID 155517981
2-Bromo-5-(3-methoxyphenyl)thiazole
CID 49758386
5-[Bis(4-methoxyphenyl)methylsulfinylmethyl]-1,3-thiazole
CID 155524272
5-[[(R)-[(R)-(4-methoxyphenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole
CID 155528557
5-[[(R)-[(S)-(4-methoxyphenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole
CID 155559008
5-[[(S)-[(R)-(4-methoxyphenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole
CID 155560597
2-Bromo-5-(4-methoxyphenyl)thiazole
CID 45142089

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-(5-methoxy-2,3-dihydroinden-1-ylidene)methyl]-1,3-thiazole?
The IUPAC name of 5-[(Z)-(5-methoxy-2,3-dihydroinden-1-ylidene)methyl]-1,3-thiazole (CID 6539807) is 5-[(Z)-(5-methoxy-2,3-dihydroinden-1-ylidene)methyl]-1,3-thiazole.
What is the SMILES notation for 5-[(Z)-(5-methoxy-2,3-dihydroinden-1-ylidene)methyl]-1,3-thiazole?
The canonical SMILES for 5-[(Z)-(5-methoxy-2,3-dihydroinden-1-ylidene)methyl]-1,3-thiazole is COc1ccc2c(c1)CC/C2=C/c1cncs1.
What is the InChIKey of 5-[(Z)-(5-methoxy-2,3-dihydroinden-1-ylidene)methyl]-1,3-thiazole?
The InChIKey is YBVSJXCRZPLUNH-XFFZJAGNSA-N. The full InChI is InChI=1S/C14H13NOS/c1-16-12-4-5-14-10(6-12)2-3-11(14)7-13-8-15-9-17-13/h4-9H,2-3H2,1H3/b11-7-.
What are the key properties of 5-[(Z)-(5-methoxy-2,3-dihydroinden-1-ylidene)methyl]-1,3-thiazole?
5-[(Z)-(5-methoxy-2,3-dihydroinden-1-ylidene)methyl]-1,3-thiazole has a molecular weight of 243.33 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-(5-methoxy-2,3-dihydroinden-1-ylidene)methyl]-1,3-thiazole is sourced from PubChem (CID 6539807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).