[2-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-phenylmethanone

C19H18ClN5OS — CID 108771542

IUPAC[2-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-phenylmethanone
SMILESCCc1nc(Cl)cc(Nc2nc3c(s2)CN(C(=O)c2ccccc2)CC3)n1
InChIInChI=1S/C19H18ClN5OS/c1-2-16-22-15(20)10-17(23-16)24-19-21-13-8-9-25(11-14(13)27-19)18(26)12-6-4-3-5-7-12/h3-7,10H,2,8-9,11H2,1H3,(H,21,22,23,24)
InChIKeyKUUPWEDFIXTPMC-UHFFFAOYSA-N
MW399.91 g/mol
LogP4.09
Rot. Bonds4

About [2-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-phenylmethanone

[2-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-phenylmethanone (PubChem CID 108771542) has the molecular formula C19H18ClN5OS and a molecular weight of 399.91 g/mol. Its IUPAC name is [2-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-phenylmethanone
PubChem CID108771542
Molecular FormulaC19H18ClN5OS
Molecular Weight399.91 g/mol
Exact Mass399.09
IUPAC Name[2-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-phenylmethanone
SMILESCCc1nc(Cl)cc(Nc2nc3c(s2)CN(C(=O)c2ccccc2)CC3)n1
InChIInChI=1S/C19H18ClN5OS/c1-2-16-22-15(20)10-17(23-16)24-19-21-13-8-9-25(11-14(13)27-19)18(26)12-6-4-3-5-7-12/h3-7,10H,2,8-9,11H2,1H3,(H,21,22,23,24)
InChIKeyKUUPWEDFIXTPMC-UHFFFAOYSA-N
XLogP4.09
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.91
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3,3-diphenylpropanamide
CID 108725786
prop-2-enyl N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamate
CID 108725715
N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(4-chloro-3-methylphenoxy)acetamide
CID 108749946
N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(2-methoxyethoxy)acetamide
CID 108725696
ethyl N-[5-(naphthalene-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90527889
(E)-N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(3,4-dichlorophenyl)prop-2-enamide
CID 108749929
N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(methylsulfanylmethyl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 136782624
(E)-N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(4-methylphenyl)prop-2-enamide
CID 108749924
N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(4-chlorophenoxy)propanamide
CID 108725724
[2-[[6-(3-nitrophenyl)pyridazin-3-yl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-phenylmethanone
CID 108771500
N-[5-(4-ethoxybenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
CID 90525054
N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 108749906

Frequently Asked Questions

What is the IUPAC name of [2-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-phenylmethanone?
The IUPAC name of [2-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-phenylmethanone (CID 108771542) is [2-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-phenylmethanone.
What is the SMILES notation for [2-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-phenylmethanone?
The canonical SMILES for [2-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-phenylmethanone is CCc1nc(Cl)cc(Nc2nc3c(s2)CN(C(=O)c2ccccc2)CC3)n1.
What is the InChIKey of [2-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-phenylmethanone?
The InChIKey is KUUPWEDFIXTPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5OS/c1-2-16-22-15(20)10-17(23-16)24-19-21-13-8-9-25(11-14(13)27-19)18(26)12-6-4-3-5-7-12/h3-7,10H,2,8-9,11H2,1H3,(H,21,22,23,24).
What are the key properties of [2-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-phenylmethanone?
[2-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-phenylmethanone has a molecular weight of 399.91 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-phenylmethanone is sourced from PubChem (CID 108771542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).