2-amino-4-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-7-(dimethylamino)-4H-chromene-3-carbonitrile

C21H17ClN4OS — CID 46894193

IUPAC2-amino-4-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-7-(dimethylamino)-4H-chromene-3-carbonitrile
SMILESCN(C)c1ccc2c(c1)OC(N)=C(C#N)C2c1csc(-c2ccccc2Cl)n1
InChIInChI=1S/C21H17ClN4OS/c1-26(2)12-7-8-14-18(9-12)27-20(24)15(10-23)19(14)17-11-28-21(25-17)13-5-3-4-6-16(13)22/h3-9,11,19H,24H2,1-2H3
InChIKeyUYEBCTPAYZBDAC-UHFFFAOYSA-N
MW408.91 g/mol
LogP4.75
Rot. Bonds3

About 2-amino-4-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-7-(dimethylamino)-4H-chromene-3-carbonitrile

2-amino-4-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-7-(dimethylamino)-4H-chromene-3-carbonitrile (PubChem CID 46894193) has the molecular formula C21H17ClN4OS and a molecular weight of 408.91 g/mol. Its IUPAC name is 2-amino-4-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-7-(dimethylamino)-4H-chromene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-7-(dimethylamino)-4H-chromene-3-carbonitrile
PubChem CID46894193
Molecular FormulaC21H17ClN4OS
Molecular Weight408.91 g/mol
Exact Mass408.08
IUPAC Name2-amino-4-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-7-(dimethylamino)-4H-chromene-3-carbonitrile
SMILESCN(C)c1ccc2c(c1)OC(N)=C(C#N)C2c1csc(-c2ccccc2Cl)n1
InChIInChI=1S/C21H17ClN4OS/c1-26(2)12-7-8-14-18(9-12)27-20(24)15(10-23)19(14)17-11-28-21(25-17)13-5-3-4-6-16(13)22/h3-9,11,19H,24H2,1-2H3
InChIKeyUYEBCTPAYZBDAC-UHFFFAOYSA-N
XLogP4.75
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.91
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4R)-2-amino-4-(2,4-dichlorophenyl)-7-(dimethylamino)-4H-chromene-3-carbonitrile
CID 7304497
(4R)-2-amino-4-(3-chlorophenyl)-7-(dimethylamino)-4H-chromene-3-carbonitrile
CID 51524563
2-amino-4-(2,6-difluorophenyl)-7-(dimethylamino)-4H-chromene-3-carbonitrile
CID 16762776
(4R)-2-amino-7-(dimethylamino)-4-(4-propan-2-ylphenyl)-4H-chromene-3-carbonitrile
CID 845730
2-amino-7-(dimethylamino)-4-(4-methylsulfanylphenyl)-4H-chromene-3-carbonitrile
CID 2844718
(4R)-2,7-diamino-4-(2-chlorophenyl)-4H-chromene-3-carbonitrile
CID 749460
2-amino-7-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]-4H-chromene-3-carbonitrile
CID 3113922
2-amino-4-[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]-7-(dimethylamino)-4H-chromene-3-carbonitrile
CID 3494014
2-amino-4-[3,5-bis(phenylmethoxy)phenyl]-7-(dimethylamino)-4H-chromene-3-carbonitrile
CID 22395334
2-amino-7-(dimethylamino)-4-(3,4,5-trimethoxyphenyl)-4H-chromene-3-carbonitrile
CID 10156667
(4R)-2-amino-4-(3-bromo-4-methoxyphenyl)-7-(dimethylamino)-4H-chromene-3-carbonitrile
CID 1379836
2-amino-4-(3-bromo-5-methoxyphenyl)-7-(dimethylamino)-4H-chromene-3-carbonitrile
CID 11406913

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-7-(dimethylamino)-4H-chromene-3-carbonitrile?
The IUPAC name of 2-amino-4-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-7-(dimethylamino)-4H-chromene-3-carbonitrile (CID 46894193) is 2-amino-4-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-7-(dimethylamino)-4H-chromene-3-carbonitrile.
What is the SMILES notation for 2-amino-4-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-7-(dimethylamino)-4H-chromene-3-carbonitrile?
The canonical SMILES for 2-amino-4-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-7-(dimethylamino)-4H-chromene-3-carbonitrile is CN(C)c1ccc2c(c1)OC(N)=C(C#N)C2c1csc(-c2ccccc2Cl)n1.
What is the InChIKey of 2-amino-4-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-7-(dimethylamino)-4H-chromene-3-carbonitrile?
The InChIKey is UYEBCTPAYZBDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4OS/c1-26(2)12-7-8-14-18(9-12)27-20(24)15(10-23)19(14)17-11-28-21(25-17)13-5-3-4-6-16(13)22/h3-9,11,19H,24H2,1-2H3.
What are the key properties of 2-amino-4-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-7-(dimethylamino)-4H-chromene-3-carbonitrile?
2-amino-4-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-7-(dimethylamino)-4H-chromene-3-carbonitrile has a molecular weight of 408.91 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-7-(dimethylamino)-4H-chromene-3-carbonitrile is sourced from PubChem (CID 46894193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).