2-amino-3-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]indol-3-yl]propan-1-ol

C15H16ClN3OS — CID 170892903

IUPAC2-amino-3-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]indol-3-yl]propan-1-ol
SMILESNC(CO)Cc1cn(Cc2cnc(Cl)s2)c2ccccc12
InChIInChI=1S/C15H16ClN3OS/c16-15-18-6-12(21-15)8-19-7-10(5-11(17)9-20)13-3-1-2-4-14(13)19/h1-4,6-7,11,20H,5,8-9,17H2
InChIKeyBTRGQLVVBKQCOG-UHFFFAOYSA-N
MW321.83 g/mol
LogP2.66
Rot. Bonds5

About 2-amino-3-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]indol-3-yl]propan-1-ol

2-amino-3-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]indol-3-yl]propan-1-ol (PubChem CID 170892903) has the molecular formula C15H16ClN3OS and a molecular weight of 321.83 g/mol. Its IUPAC name is 2-amino-3-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]indol-3-yl]propan-1-ol.

Molecular Properties

Compound Name2-amino-3-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]indol-3-yl]propan-1-ol
PubChem CID170892903
Molecular FormulaC15H16ClN3OS
Molecular Weight321.83 g/mol
Exact Mass321.07
IUPAC Name2-amino-3-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]indol-3-yl]propan-1-ol
SMILESNC(CO)Cc1cn(Cc2cnc(Cl)s2)c2ccccc12
InChIInChI=1S/C15H16ClN3OS/c16-15-18-6-12(21-15)8-19-7-10(5-11(17)9-20)13-3-1-2-4-14(13)19/h1-4,6-7,11,20H,5,8-9,17H2
InChIKeyBTRGQLVVBKQCOG-UHFFFAOYSA-N
XLogP2.66
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]indol-3-yl]ethanamine
CID 170887891
3-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]indol-3-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 170880619
(Z)-3-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]indol-3-yl]prop-2-enamide
CID 170876902
5-(carbazol-9-ylmethyl)-2-chloro-1,3-thiazole
CID 79764556
[1-(1,3-thiazol-5-ylmethyl)indol-3-yl]methanol
CID 112641646
1-(1-benzylindol-3-yl)propan-2-amine
CID 3137663
1-[1-(pyrimidin-2-ylmethyl)indol-3-yl]propan-2-amine
CID 66404853
[1-[(5-ethylthiophen-2-yl)methyl]indol-3-yl]methanol
CID 66397807
1-[1-(pyridin-2-ylmethyl)indol-3-yl]butan-2-amine
CID 66405858
2-[1-(1,3-thiazol-5-ylmethyl)indol-3-yl]ethanamine
CID 112644320
1-(1-ethylindol-3-yl)propan-2-amine
CID 6484661
1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]indol-3-yl]propan-2-amine
CID 66404653

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]indol-3-yl]propan-1-ol?
The IUPAC name of 2-amino-3-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]indol-3-yl]propan-1-ol (CID 170892903) is 2-amino-3-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]indol-3-yl]propan-1-ol.
What is the SMILES notation for 2-amino-3-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]indol-3-yl]propan-1-ol?
The canonical SMILES for 2-amino-3-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]indol-3-yl]propan-1-ol is NC(CO)Cc1cn(Cc2cnc(Cl)s2)c2ccccc12.
What is the InChIKey of 2-amino-3-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]indol-3-yl]propan-1-ol?
The InChIKey is BTRGQLVVBKQCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3OS/c16-15-18-6-12(21-15)8-19-7-10(5-11(17)9-20)13-3-1-2-4-14(13)19/h1-4,6-7,11,20H,5,8-9,17H2.
What are the key properties of 2-amino-3-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]indol-3-yl]propan-1-ol?
2-amino-3-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]indol-3-yl]propan-1-ol has a molecular weight of 321.83 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]indol-3-yl]propan-1-ol is sourced from PubChem (CID 170892903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).