7-chloro-3-[[5-(thiophen-2-ylmethyl)-4,5-dihydro-1H-imidazol-2-yl]sulfanylmethyl]-5H-[1,3]thiazolo[2,3-b]quinazoline;dihydrochloride

C19H19Cl3N4S3 — CID 169005155

IUPAC7-chloro-3-[[5-(thiophen-2-ylmethyl)-4,5-dihydro-1H-imidazol-2-yl]sulfanylmethyl]-5H-[1,3]thiazolo[2,3-b]quinazoline;dihydrochloride
SMILESCl.Cl.Clc1ccc2c(c1)CN1C(CSC3=NCC(Cc4cccs4)N3)=CSC1=N2
InChIInChI=1S/C19H17ClN4S3.2ClH/c20-13-3-4-17-12(6-13)9-24-15(11-27-19(24)23-17)10-26-18-21-8-14(22-18)7-16-2-1-5-25-16;;/h1-6,11,14H,7-10H2,(H,21,22);2*1H
InChIKeyBDZUWZNPZSBYLQ-UHFFFAOYSA-N
MW505.95 g/mol
LogP5.94
Rot. Bonds4

About 7-chloro-3-[[5-(thiophen-2-ylmethyl)-4,5-dihydro-1H-imidazol-2-yl]sulfanylmethyl]-5H-[1,3]thiazolo[2,3-b]quinazoline;dihydrochloride

7-chloro-3-[[5-(thiophen-2-ylmethyl)-4,5-dihydro-1H-imidazol-2-yl]sulfanylmethyl]-5H-[1,3]thiazolo[2,3-b]quinazoline;dihydrochloride (PubChem CID 169005155) has the molecular formula C19H19Cl3N4S3 and a molecular weight of 505.95 g/mol. Its IUPAC name is 7-chloro-3-[[5-(thiophen-2-ylmethyl)-4,5-dihydro-1H-imidazol-2-yl]sulfanylmethyl]-5H-[1,3]thiazolo[2,3-b]quinazoline;dihydrochloride.

Molecular Properties

Compound Name7-chloro-3-[[5-(thiophen-2-ylmethyl)-4,5-dihydro-1H-imidazol-2-yl]sulfanylmethyl]-5H-[1,3]thiazolo[2,3-b]quinazoline;dihydrochloride
PubChem CID169005155
Molecular FormulaC19H19Cl3N4S3
Molecular Weight505.95 g/mol
Exact Mass503.98
IUPAC Name7-chloro-3-[[5-(thiophen-2-ylmethyl)-4,5-dihydro-1H-imidazol-2-yl]sulfanylmethyl]-5H-[1,3]thiazolo[2,3-b]quinazoline;dihydrochloride
SMILESCl.Cl.Clc1ccc2c(c1)CN1C(CSC3=NCC(Cc4cccs4)N3)=CSC1=N2
InChIInChI=1S/C19H17ClN4S3.2ClH/c20-13-3-4-17-12(6-13)9-24-15(11-27-19(24)23-17)10-26-18-21-8-14(22-18)7-16-2-1-5-25-16;;/h1-6,11,14H,7-10H2,(H,21,22);2*1H
InChIKeyBDZUWZNPZSBYLQ-UHFFFAOYSA-N
XLogP5.94
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.95
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-chloro-3-[[5-(thiophen-2-ylmethyl)-4,5-dihydro-1H-imidazol-2-yl]sulfanylmethyl]-5H-[1,3]thiazolo[2,3-b]quinazoline;dihydrochloride with MolForge

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Related Compounds

3-[(5-butyl-4,5-dihydro-1H-imidazol-2-yl)sulfanylmethyl]-5H-[1,3]thiazolo[2,3-b]quinazoline;dihydrochloride
CID 169005068
3-(chloromethyl)-6-(thiophen-2-ylmethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
CID 169005065
1-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-5,10-dihydro-[1,3]thiazolo[3,2-b][2,4]benzodiazepine
CID 169004864
2-chloro-12H-indolo[2,1-b]quinazolin-6-one
CID 15150649
(3S)-5-chloro-3-(thiophen-2-ylmethyl)-1,3-dihydroindol-2-one
CID 26367680
2-(thiophen-2-ylmethyl)-2,3-dihydro-1H-indole
CID 65042265
(2S)-2-(thiophen-2-ylmethyl)azepane
CID 94481267
1-(3-chlorophenyl)-N-cyclopropyl-N-(2-thiophen-2-ylethyl)methanesulfonamide
CID 90496128
3-(thiophen-2-ylmethyl)azetidine;hydrochloride
CID 134691076
2,5-dichloro-N-cyclopropyl-N-(2-thiophen-2-ylethyl)benzamide
CID 71781417
3-chloro-N-cyclopropyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 90496109
3-bromo-5-chloro-N-cyclopropyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 114836834

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[[5-(thiophen-2-ylmethyl)-4,5-dihydro-1H-imidazol-2-yl]sulfanylmethyl]-5H-[1,3]thiazolo[2,3-b]quinazoline;dihydrochloride?
The IUPAC name of 7-chloro-3-[[5-(thiophen-2-ylmethyl)-4,5-dihydro-1H-imidazol-2-yl]sulfanylmethyl]-5H-[1,3]thiazolo[2,3-b]quinazoline;dihydrochloride (CID 169005155) is 7-chloro-3-[[5-(thiophen-2-ylmethyl)-4,5-dihydro-1H-imidazol-2-yl]sulfanylmethyl]-5H-[1,3]thiazolo[2,3-b]quinazoline;dihydrochloride.
What is the SMILES notation for 7-chloro-3-[[5-(thiophen-2-ylmethyl)-4,5-dihydro-1H-imidazol-2-yl]sulfanylmethyl]-5H-[1,3]thiazolo[2,3-b]quinazoline;dihydrochloride?
The canonical SMILES for 7-chloro-3-[[5-(thiophen-2-ylmethyl)-4,5-dihydro-1H-imidazol-2-yl]sulfanylmethyl]-5H-[1,3]thiazolo[2,3-b]quinazoline;dihydrochloride is Cl.Cl.Clc1ccc2c(c1)CN1C(CSC3=NCC(Cc4cccs4)N3)=CSC1=N2.
What is the InChIKey of 7-chloro-3-[[5-(thiophen-2-ylmethyl)-4,5-dihydro-1H-imidazol-2-yl]sulfanylmethyl]-5H-[1,3]thiazolo[2,3-b]quinazoline;dihydrochloride?
The InChIKey is BDZUWZNPZSBYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4S3.2ClH/c20-13-3-4-17-12(6-13)9-24-15(11-27-19(24)23-17)10-26-18-21-8-14(22-18)7-16-2-1-5-25-16;;/h1-6,11,14H,7-10H2,(H,21,22);2*1H.
What are the key properties of 7-chloro-3-[[5-(thiophen-2-ylmethyl)-4,5-dihydro-1H-imidazol-2-yl]sulfanylmethyl]-5H-[1,3]thiazolo[2,3-b]quinazoline;dihydrochloride?
7-chloro-3-[[5-(thiophen-2-ylmethyl)-4,5-dihydro-1H-imidazol-2-yl]sulfanylmethyl]-5H-[1,3]thiazolo[2,3-b]quinazoline;dihydrochloride has a molecular weight of 505.95 g/mol, XLogP of 5.94, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-[[5-(thiophen-2-ylmethyl)-4,5-dihydro-1H-imidazol-2-yl]sulfanylmethyl]-5H-[1,3]thiazolo[2,3-b]quinazoline;dihydrochloride is sourced from PubChem (CID 169005155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).