N,6-dimethyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine

C18H19N5S2 — CID 167847061

IUPACN,6-dimethyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCc1cn2nc(N(C)C(C)c3sc(-c4ccccc4)nc3C)sc2n1
InChIInChI=1S/C18H19N5S2/c1-11-10-23-17(19-11)25-18(21-23)22(4)13(3)15-12(2)20-16(24-15)14-8-6-5-7-9-14/h5-10,13H,1-4H3
InChIKeyAVJGBVGXXRZUPQ-UHFFFAOYSA-N
MW369.52 g/mol
LogP4.73
Rot. Bonds4

About N,6-dimethyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine

N,6-dimethyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 167847061) has the molecular formula C18H19N5S2 and a molecular weight of 369.52 g/mol. Its IUPAC name is N,6-dimethyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound NameN,6-dimethyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID167847061
Molecular FormulaC18H19N5S2
Molecular Weight369.52 g/mol
Exact Mass369.11
IUPAC NameN,6-dimethyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCc1cn2nc(N(C)C(C)c3sc(-c4ccccc4)nc3C)sc2n1
InChIInChI=1S/C18H19N5S2/c1-11-10-23-17(19-11)25-18(21-23)22(4)13(3)15-12(2)20-16(24-15)14-8-6-5-7-9-14/h5-10,13H,1-4H3
InChIKeyAVJGBVGXXRZUPQ-UHFFFAOYSA-N
XLogP4.73
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.52
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2,3-dimethylimidazol-4-yl)methyl]-N-methyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanamine
CID 166244098
N-methyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]ethanamine
CID 71919688
4-amino-N-methyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]butanamide
CID 119893005
2-(aminomethyl)-N-methyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 119892993
4-amino-3-methoxy-N-methyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]butanamide;dihydrochloride
CID 120597190
3-methyl-2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)butanenitrile
CID 116887330
3-methyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]butanamide
CID 60568920
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanamine
CID 126766632
2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)butan-1-amine
CID 116887194
(2R)-2-[[(1S)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]amino]butanamide
CID 95624526
4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 4319506
2-(cyclopropylmethylamino)-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]acetamide
CID 119750102

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of N,6-dimethyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 167847061) is N,6-dimethyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for N,6-dimethyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for N,6-dimethyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine is Cc1cn2nc(N(C)C(C)c3sc(-c4ccccc4)nc3C)sc2n1.
What is the InChIKey of N,6-dimethyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is AVJGBVGXXRZUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5S2/c1-11-10-23-17(19-11)25-18(21-23)22(4)13(3)15-12(2)20-16(24-15)14-8-6-5-7-9-14/h5-10,13H,1-4H3.
What are the key properties of N,6-dimethyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
N,6-dimethyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 369.52 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 167847061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).