6-[3-[(dimethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-N-methylcyclohexa-2,4-dien-1-amine

C15H20N4S — CID 123328473

IUPAC6-[3-[(dimethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-N-methylcyclohexa-2,4-dien-1-amine
SMILESCNC1C=CC=CC1c1cn2c(CN(C)C)csc2n1
InChIInChI=1S/C15H20N4S/c1-16-13-7-5-4-6-12(13)14-9-19-11(8-18(2)3)10-20-15(19)17-14/h4-7,9-10,12-13,16H,8H2,1-3H3
InChIKeyZCHWAHNZZQQBDU-UHFFFAOYSA-N
MW288.42 g/mol
LogP2.26
Rot. Bonds4

About 6-[3-[(dimethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-N-methylcyclohexa-2,4-dien-1-amine

6-[3-[(dimethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-N-methylcyclohexa-2,4-dien-1-amine (PubChem CID 123328473) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is 6-[3-[(dimethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-N-methylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name6-[3-[(dimethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-N-methylcyclohexa-2,4-dien-1-amine
PubChem CID123328473
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name6-[3-[(dimethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-N-methylcyclohexa-2,4-dien-1-amine
SMILESCNC1C=CC=CC1c1cn2c(CN(C)C)csc2n1
InChIInChI=1S/C15H20N4S/c1-16-13-7-5-4-6-12(13)14-9-19-11(8-18(2)3)10-20-15(19)17-14/h4-7,9-10,12-13,16H,8H2,1-3H3
InChIKeyZCHWAHNZZQQBDU-UHFFFAOYSA-N
XLogP2.26
TPSA32.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 178051036
CID 178051036
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CID 105174189
CID 105174189
CID 156716680
CID 156716680
CID 43769985
CID 43769985
CID 24259908
CID 24259908
CID 51342182
CID 51342182
CID 89012546
CID 89012546
CID 95048232
CID 95048232
CID 124017578
CID 124017578
CID 134232435
CID 134232435
CID 134232792
CID 134232792

Frequently Asked Questions

What is the IUPAC name of 6-[3-[(dimethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-N-methylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 6-[3-[(dimethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-N-methylcyclohexa-2,4-dien-1-amine (CID 123328473) is 6-[3-[(dimethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-N-methylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 6-[3-[(dimethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-N-methylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 6-[3-[(dimethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-N-methylcyclohexa-2,4-dien-1-amine is CNC1C=CC=CC1c1cn2c(CN(C)C)csc2n1.
What is the InChIKey of 6-[3-[(dimethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-N-methylcyclohexa-2,4-dien-1-amine?
The InChIKey is ZCHWAHNZZQQBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S/c1-16-13-7-5-4-6-12(13)14-9-19-11(8-18(2)3)10-20-15(19)17-14/h4-7,9-10,12-13,16H,8H2,1-3H3.
What are the key properties of 6-[3-[(dimethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-N-methylcyclohexa-2,4-dien-1-amine?
6-[3-[(dimethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-N-methylcyclohexa-2,4-dien-1-amine has a molecular weight of 288.42 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[(dimethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-N-methylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 123328473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).