N-methyl-4-[(E)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-amine

C18H15N5S — CID 44587326

IUPACN-methyl-4-[(E)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-amine
SMILESCNc1nccc(/C=C/c2c(-c3ccccc3)nc3sccn23)n1
InChIInChI=1S/C18H15N5S/c1-19-17-20-10-9-14(21-17)7-8-15-16(13-5-3-2-4-6-13)22-18-23(15)11-12-24-18/h2-12H,1H3,(H,19,20,21)/b8-7+
InChIKeyDBJYPFDFNHRDNQ-BQYQJAHWSA-N
MW333.42 g/mol
LogP4.06
Rot. Bonds4

About N-methyl-4-[(E)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-amine

N-methyl-4-[(E)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-amine (PubChem CID 44587326) has the molecular formula C18H15N5S and a molecular weight of 333.42 g/mol. Its IUPAC name is N-methyl-4-[(E)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-4-[(E)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-amine
PubChem CID44587326
Molecular FormulaC18H15N5S
Molecular Weight333.42 g/mol
Exact Mass333.10
IUPAC NameN-methyl-4-[(E)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-amine
SMILESCNc1nccc(/C=C/c2c(-c3ccccc3)nc3sccn23)n1
InChIInChI=1S/C18H15N5S/c1-19-17-20-10-9-14(21-17)7-8-15-16(13-5-3-2-4-6-13)22-18-23(15)11-12-24-18/h2-12H,1H3,(H,19,20,21)/b8-7+
InChIKeyDBJYPFDFNHRDNQ-BQYQJAHWSA-N
XLogP4.06
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-Fluorophenyl)-2,3-dihydro-5-(4-pyridinyl)imidazo(2,1-b)thiazole
CID 5228
[4-(6-Methyl-imidazo[2,1-b]thiazol-5-yl)-thiazol-2-yl]-(4-methyl-pyridin-2-yl)-amine
CID 644740
3-{Imidazo[2,1-b][1,3]thiazol-6-yl}aniline
CID 3312672
Imidazopyridine 10e
CID 5329344
Imidazopyridine 10f
CID 5329345
Ikk-IN-3
CID 10215156
12-Methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823959
N,12-dimethyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823960
12-methyl-4-phenyl-N-[2-(piperidin-1-yl)ethyl]-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823975
Dimethyl[2-({12-methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-yl}amino)ethyl]amine
CID 20823982
N-ethyl-12-methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20824060
Pifithrin-Beta
CID 443278

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(E)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-amine?
The IUPAC name of N-methyl-4-[(E)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-amine (CID 44587326) is N-methyl-4-[(E)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-amine.
What is the SMILES notation for N-methyl-4-[(E)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-amine?
The canonical SMILES for N-methyl-4-[(E)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-amine is CNc1nccc(/C=C/c2c(-c3ccccc3)nc3sccn23)n1.
What is the InChIKey of N-methyl-4-[(E)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-amine?
The InChIKey is DBJYPFDFNHRDNQ-BQYQJAHWSA-N. The full InChI is InChI=1S/C18H15N5S/c1-19-17-20-10-9-14(21-17)7-8-15-16(13-5-3-2-4-6-13)22-18-23(15)11-12-24-18/h2-12H,1H3,(H,19,20,21)/b8-7+.
What are the key properties of N-methyl-4-[(E)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-amine?
N-methyl-4-[(E)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-amine has a molecular weight of 333.42 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(E)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-amine is sourced from PubChem (CID 44587326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).