1-(3,5-dichlorophenyl)-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea

C13H12Cl2N4OS — CID 107653982

IUPAC1-(3,5-dichlorophenyl)-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)Nc1nc2c(s1)CNCC2
InChIInChI=1S/C13H12Cl2N4OS/c14-7-3-8(15)5-9(4-7)17-12(20)19-13-18-10-1-2-16-6-11(10)21-13/h3-5,16H,1-2,6H2,(H2,17,18,19,20)
InChIKeyMQRROGJSUYVYSA-UHFFFAOYSA-N
MW343.24 g/mol
LogP3.74
Rot. Bonds2

About 1-(3,5-dichlorophenyl)-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea

1-(3,5-dichlorophenyl)-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea (PubChem CID 107653982) has the molecular formula C13H12Cl2N4OS and a molecular weight of 343.24 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea
PubChem CID107653982
Molecular FormulaC13H12Cl2N4OS
Molecular Weight343.24 g/mol
Exact Mass342.01
IUPAC Name1-(3,5-dichlorophenyl)-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)Nc1nc2c(s1)CNCC2
InChIInChI=1S/C13H12Cl2N4OS/c14-7-3-8(15)5-9(4-7)17-12(20)19-13-18-10-1-2-16-6-11(10)21-13/h3-5,16H,1-2,6H2,(H2,17,18,19,20)
InChIKeyMQRROGJSUYVYSA-UHFFFAOYSA-N
XLogP3.74
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.24
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 43593378
4-chloro-2-hydroxy-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 43593292
1-propan-2-yl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea
CID 43593383
1-cyclopropyl-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea
CID 62700616
3,5-dichloro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzenesulfonamide;hydrochloride
CID 87714637
(E)-3-(4-chlorophenyl)-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)prop-2-enamide
CID 43593285
1-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-3-phenylurea
CID 82194100
2-[(3,5-dichlorophenyl)carbamoylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
CID 71080269
2,2,2-trifluoro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 63105367
2-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazole-4-carboxamide
CID 65199010
N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrimidine-5-carboxamide
CID 102922199
N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyridine-2-carboxamide;hydrochloride
CID 71778985

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea?
The IUPAC name of 1-(3,5-dichlorophenyl)-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea (CID 107653982) is 1-(3,5-dichlorophenyl)-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea?
The canonical SMILES for 1-(3,5-dichlorophenyl)-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea is O=C(Nc1cc(Cl)cc(Cl)c1)Nc1nc2c(s1)CNCC2.
What is the InChIKey of 1-(3,5-dichlorophenyl)-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea?
The InChIKey is MQRROGJSUYVYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N4OS/c14-7-3-8(15)5-9(4-7)17-12(20)19-13-18-10-1-2-16-6-11(10)21-13/h3-5,16H,1-2,6H2,(H2,17,18,19,20).
What are the key properties of 1-(3,5-dichlorophenyl)-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea?
1-(3,5-dichlorophenyl)-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea has a molecular weight of 343.24 g/mol, XLogP of 3.74, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea is sourced from PubChem (CID 107653982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).