1-(5-chlorothiophen-2-yl)-2-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]ethanol

C13H18ClN3OS2 — CID 111469610

IUPAC1-(5-chlorothiophen-2-yl)-2-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]ethanol
SMILESCc1nc(N(C)C)sc1CNCC(O)c1ccc(Cl)s1
InChIInChI=1S/C13H18ClN3OS2/c1-8-11(20-13(16-8)17(2)3)7-15-6-9(18)10-4-5-12(14)19-10/h4-5,9,15,18H,6-7H2,1-3H3
InChIKeyUAQQNSNVQGEMQS-UHFFFAOYSA-N
MW331.89 g/mol
LogP3.06
Rot. Bonds6

About 1-(5-chlorothiophen-2-yl)-2-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]ethanol

1-(5-chlorothiophen-2-yl)-2-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]ethanol (PubChem CID 111469610) has the molecular formula C13H18ClN3OS2 and a molecular weight of 331.89 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]ethanol.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]ethanol
PubChem CID111469610
Molecular FormulaC13H18ClN3OS2
Molecular Weight331.89 g/mol
Exact Mass331.06
IUPAC Name1-(5-chlorothiophen-2-yl)-2-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]ethanol
SMILESCc1nc(N(C)C)sc1CNCC(O)c1ccc(Cl)s1
InChIInChI=1S/C13H18ClN3OS2/c1-8-11(20-13(16-8)17(2)3)7-15-6-9(18)10-4-5-12(14)19-10/h4-5,9,15,18H,6-7H2,1-3H3
InChIKeyUAQQNSNVQGEMQS-UHFFFAOYSA-N
XLogP3.06
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.89
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(5-chlorothiophen-2-yl)-2-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]ethanol with MolForge

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Related Compounds

2-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]-1-(3-methoxyphenyl)ethanol
CID 111114822
5-(ethylaminomethyl)-N,N,4-trimethyl-1,3-thiazol-2-amine
CID 46785712
1-(5-chlorothiophen-2-yl)-2-(pyridin-4-ylmethylamino)ethanol
CID 111463156
1-(5-chlorothiophen-2-yl)-2-(methylamino)ethanol
CID 79002149
N-[(5-chlorothiophen-2-yl)methyl]-N,4-dimethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62766999
1-(5-chlorothiophen-2-yl)-2-[(2-fluorophenyl)methylamino]ethanol
CID 111469547
1-[[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]methyl]cyclobutan-1-ol
CID 111114578
2-(tert-butylamino)-1-(5-chlorothiophen-2-yl)ethanol
CID 3039980
5-[(3-fluoropropylamino)methyl]-N,N,4-trimethyl-1,3-thiazol-2-amine
CID 115732929
N,N,4-trimethyl-5-[(2-methylsulfanylethylamino)methyl]-1,3-thiazol-2-amine
CID 115600609
2-[(2-chloroimidazo[1,2-a]pyridin-3-yl)methylamino]-1-(5-chlorothiophen-2-yl)ethanol
CID 111469544
2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-1-(5-chlorothiophen-2-yl)ethanol
CID 111469551

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]ethanol?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]ethanol (CID 111469610) is 1-(5-chlorothiophen-2-yl)-2-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]ethanol.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]ethanol?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]ethanol is Cc1nc(N(C)C)sc1CNCC(O)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]ethanol?
The InChIKey is UAQQNSNVQGEMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3OS2/c1-8-11(20-13(16-8)17(2)3)7-15-6-9(18)10-4-5-12(14)19-10/h4-5,9,15,18H,6-7H2,1-3H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]ethanol?
1-(5-chlorothiophen-2-yl)-2-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]ethanol has a molecular weight of 331.89 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]ethanol is sourced from PubChem (CID 111469610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).