1-N'-[(5-chloro-6-imidazo[2,1-b][1,3]thiazol-2-yl-1H-indol-2-yl)methyl]ethene-1,1-diamine

C16H14ClN5S — CID 176925930

IUPAC1-N'-[(5-chloro-6-imidazo[2,1-b][1,3]thiazol-2-yl-1H-indol-2-yl)methyl]ethene-1,1-diamine
SMILESC=C(N)NCc1cc2cc(Cl)c(-c3cn4ccnc4s3)cc2[nH]1
InChIInChI=1S/C16H14ClN5S/c1-9(18)20-7-11-4-10-5-13(17)12(6-14(10)21-11)15-8-22-3-2-19-16(22)23-15/h2-6,8,20-21H,1,7,18H2
InChIKeyWZLCTRMSRSXZNH-UHFFFAOYSA-N
MW343.84 g/mol
LogP3.72
Rot. Bonds4

About 1-N'-[(5-chloro-6-imidazo[2,1-b][1,3]thiazol-2-yl-1H-indol-2-yl)methyl]ethene-1,1-diamine

1-N'-[(5-chloro-6-imidazo[2,1-b][1,3]thiazol-2-yl-1H-indol-2-yl)methyl]ethene-1,1-diamine (PubChem CID 176925930) has the molecular formula C16H14ClN5S and a molecular weight of 343.84 g/mol. Its IUPAC name is 1-N'-[(5-chloro-6-imidazo[2,1-b][1,3]thiazol-2-yl-1H-indol-2-yl)methyl]ethene-1,1-diamine.

Molecular Properties

Compound Name1-N'-[(5-chloro-6-imidazo[2,1-b][1,3]thiazol-2-yl-1H-indol-2-yl)methyl]ethene-1,1-diamine
PubChem CID176925930
Molecular FormulaC16H14ClN5S
Molecular Weight343.84 g/mol
Exact Mass343.07
IUPAC Name1-N'-[(5-chloro-6-imidazo[2,1-b][1,3]thiazol-2-yl-1H-indol-2-yl)methyl]ethene-1,1-diamine
SMILESC=C(N)NCc1cc2cc(Cl)c(-c3cn4ccnc4s3)cc2[nH]1
InChIInChI=1S/C16H14ClN5S/c1-9(18)20-7-11-4-10-5-13(17)12(6-14(10)21-11)15-8-22-3-2-19-16(22)23-15/h2-6,8,20-21H,1,7,18H2
InChIKeyWZLCTRMSRSXZNH-UHFFFAOYSA-N
XLogP3.72
TPSA71.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.84
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-N'-[(5-chloro-6-imidazo[2,1-b][1,3]thiazol-2-yl-1H-indol-2-yl)methyl]ethene-1,1-diamine?
The IUPAC name of 1-N'-[(5-chloro-6-imidazo[2,1-b][1,3]thiazol-2-yl-1H-indol-2-yl)methyl]ethene-1,1-diamine (CID 176925930) is 1-N'-[(5-chloro-6-imidazo[2,1-b][1,3]thiazol-2-yl-1H-indol-2-yl)methyl]ethene-1,1-diamine.
What is the SMILES notation for 1-N'-[(5-chloro-6-imidazo[2,1-b][1,3]thiazol-2-yl-1H-indol-2-yl)methyl]ethene-1,1-diamine?
The canonical SMILES for 1-N'-[(5-chloro-6-imidazo[2,1-b][1,3]thiazol-2-yl-1H-indol-2-yl)methyl]ethene-1,1-diamine is C=C(N)NCc1cc2cc(Cl)c(-c3cn4ccnc4s3)cc2[nH]1.
What is the InChIKey of 1-N'-[(5-chloro-6-imidazo[2,1-b][1,3]thiazol-2-yl-1H-indol-2-yl)methyl]ethene-1,1-diamine?
The InChIKey is WZLCTRMSRSXZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5S/c1-9(18)20-7-11-4-10-5-13(17)12(6-14(10)21-11)15-8-22-3-2-19-16(22)23-15/h2-6,8,20-21H,1,7,18H2.
What are the key properties of 1-N'-[(5-chloro-6-imidazo[2,1-b][1,3]thiazol-2-yl-1H-indol-2-yl)methyl]ethene-1,1-diamine?
1-N'-[(5-chloro-6-imidazo[2,1-b][1,3]thiazol-2-yl-1H-indol-2-yl)methyl]ethene-1,1-diamine has a molecular weight of 343.84 g/mol, XLogP of 3.72, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[(5-chloro-6-imidazo[2,1-b][1,3]thiazol-2-yl-1H-indol-2-yl)methyl]ethene-1,1-diamine is sourced from PubChem (CID 176925930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).