N-methyl-4-(2-propan-2-ylquinolin-4-yl)-1,3-thiazol-2-amine

C16H17N3S — CID 82447779

IUPACN-methyl-4-(2-propan-2-ylquinolin-4-yl)-1,3-thiazol-2-amine
SMILESCNc1nc(-c2cc(C(C)C)nc3ccccc23)cs1
InChIInChI=1S/C16H17N3S/c1-10(2)14-8-12(15-9-20-16(17-3)19-15)11-6-4-5-7-13(11)18-14/h4-10H,1-3H3,(H,17,19)
InChIKeyHDEUHPLVRSEFRP-UHFFFAOYSA-N
MW283.40 g/mol
LogP4.52
Rot. Bonds3

About N-methyl-4-(2-propan-2-ylquinolin-4-yl)-1,3-thiazol-2-amine

N-methyl-4-(2-propan-2-ylquinolin-4-yl)-1,3-thiazol-2-amine (PubChem CID 82447779) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-methyl-4-(2-propan-2-ylquinolin-4-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-4-(2-propan-2-ylquinolin-4-yl)-1,3-thiazol-2-amine
PubChem CID82447779
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC NameN-methyl-4-(2-propan-2-ylquinolin-4-yl)-1,3-thiazol-2-amine
SMILESCNc1nc(-c2cc(C(C)C)nc3ccccc23)cs1
InChIInChI=1S/C16H17N3S/c1-10(2)14-8-12(15-9-20-16(17-3)19-15)11-6-4-5-7-13(11)18-14/h4-10H,1-3H3,(H,17,19)
InChIKeyHDEUHPLVRSEFRP-UHFFFAOYSA-N
XLogP4.52
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-propan-2-ylquinolin-4-yl)-1,3-thiazol-2-amine
CID 82447778
N-methyl-4-(4-methylnaphthalen-1-yl)-1,3-thiazol-2-amine
CID 83801577
N-methyl-4-(3-methylazulen-1-yl)-1,3-thiazol-2-amine
CID 11436742
4-(6-chloro-2-methylquinolin-4-yl)-N-methyl-1,3-thiazol-2-amine
CID 82449132
2-propan-2-yl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 16562926
[2-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]methanol
CID 88788468
methyl 3-[2-(methylamino)-1,3-thiazol-4-yl]azulene-1-carboxylate
CID 11254998
4-(2,4-dimethylphenyl)-N-methyl-1,3-thiazol-2-amine
CID 17465165
N-methyl-4-(2-phenyl-1H-indol-3-yl)-1,3-thiazol-2-amine
CID 8963026
3-[2-(methylamino)-1,3-thiazol-4-yl]-1-propan-2-ylpyridin-2-one
CID 82527106
4-(2-bromo-4-chlorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 86657697
4-(1H-benzimidazol-2-yl)-N-methyl-1,3-thiazol-2-amine
CID 14668556

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2-propan-2-ylquinolin-4-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-4-(2-propan-2-ylquinolin-4-yl)-1,3-thiazol-2-amine (CID 82447779) is N-methyl-4-(2-propan-2-ylquinolin-4-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-4-(2-propan-2-ylquinolin-4-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-4-(2-propan-2-ylquinolin-4-yl)-1,3-thiazol-2-amine is CNc1nc(-c2cc(C(C)C)nc3ccccc23)cs1.
What is the InChIKey of N-methyl-4-(2-propan-2-ylquinolin-4-yl)-1,3-thiazol-2-amine?
The InChIKey is HDEUHPLVRSEFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-10(2)14-8-12(15-9-20-16(17-3)19-15)11-6-4-5-7-13(11)18-14/h4-10H,1-3H3,(H,17,19).
What are the key properties of N-methyl-4-(2-propan-2-ylquinolin-4-yl)-1,3-thiazol-2-amine?
N-methyl-4-(2-propan-2-ylquinolin-4-yl)-1,3-thiazol-2-amine has a molecular weight of 283.40 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2-propan-2-ylquinolin-4-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 82447779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).