N-methyl-1-(4-propan-2-yl-2-quinoxalin-6-yl-1,3-thiazol-5-yl)methanamine

C16H18N4S — CID 114364781

IUPACN-methyl-1-(4-propan-2-yl-2-quinoxalin-6-yl-1,3-thiazol-5-yl)methanamine
SMILESCNCc1sc(-c2ccc3nccnc3c2)nc1C(C)C
InChIInChI=1S/C16H18N4S/c1-10(2)15-14(9-17-3)21-16(20-15)11-4-5-12-13(8-11)19-7-6-18-12/h4-8,10,17H,9H2,1-3H3
InChIKeyKKVNSGLVGCBHKF-UHFFFAOYSA-N
MW298.42 g/mol
LogP3.60
Rot. Bonds4

About N-methyl-1-(4-propan-2-yl-2-quinoxalin-6-yl-1,3-thiazol-5-yl)methanamine

N-methyl-1-(4-propan-2-yl-2-quinoxalin-6-yl-1,3-thiazol-5-yl)methanamine (PubChem CID 114364781) has the molecular formula C16H18N4S and a molecular weight of 298.42 g/mol. Its IUPAC name is N-methyl-1-(4-propan-2-yl-2-quinoxalin-6-yl-1,3-thiazol-5-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(4-propan-2-yl-2-quinoxalin-6-yl-1,3-thiazol-5-yl)methanamine
PubChem CID114364781
Molecular FormulaC16H18N4S
Molecular Weight298.42 g/mol
Exact Mass298.13
IUPAC NameN-methyl-1-(4-propan-2-yl-2-quinoxalin-6-yl-1,3-thiazol-5-yl)methanamine
SMILESCNCc1sc(-c2ccc3nccnc3c2)nc1C(C)C
InChIInChI=1S/C16H18N4S/c1-10(2)15-14(9-17-3)21-16(20-15)11-4-5-12-13(8-11)19-7-6-18-12/h4-8,10,17H,9H2,1-3H3
InChIKeyKKVNSGLVGCBHKF-UHFFFAOYSA-N
XLogP3.60
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-1-(4-propan-2-yl-2-quinoxalin-6-yl-1,3-thiazol-5-yl)methanamine with MolForge

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Launch Full Analysis

Related Compounds

(4-propan-2-yl-2-quinoxalin-6-yl-1,3-thiazol-5-yl)methanamine
CID 114361436
1-[2-(3-fluorophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114364905
1-[2-(3-chlorophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114364723
N-methyl-1-[2-(4-methylsulfanylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 106849680
1-[2-(3-bromo-4-methoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 106951184
1-[2-(3-fluoro-5-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114364913
2-(4-methyl-2-quinoxalin-6-yl-1,3-thiazol-5-yl)ethanamine
CID 79154274
N-methyl-1-[2-(2-methylpyrimidin-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 114364758
1-[2-(5-chloro-2-pyridinyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114364911
1-(4-cyclopropyl-2-quinolin-6-yl-1,3-thiazol-5-yl)-N-methylmethanamine
CID 114367052
N-methyl-1-[4-propan-2-yl-2-(pyridin-4-ylmethyl)-1,3-thiazol-5-yl]methanamine
CID 114364727
1-[2-(6-methoxypyrimidin-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 102952841

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-propan-2-yl-2-quinoxalin-6-yl-1,3-thiazol-5-yl)methanamine?
The IUPAC name of N-methyl-1-(4-propan-2-yl-2-quinoxalin-6-yl-1,3-thiazol-5-yl)methanamine (CID 114364781) is N-methyl-1-(4-propan-2-yl-2-quinoxalin-6-yl-1,3-thiazol-5-yl)methanamine.
What is the SMILES notation for N-methyl-1-(4-propan-2-yl-2-quinoxalin-6-yl-1,3-thiazol-5-yl)methanamine?
The canonical SMILES for N-methyl-1-(4-propan-2-yl-2-quinoxalin-6-yl-1,3-thiazol-5-yl)methanamine is CNCc1sc(-c2ccc3nccnc3c2)nc1C(C)C.
What is the InChIKey of N-methyl-1-(4-propan-2-yl-2-quinoxalin-6-yl-1,3-thiazol-5-yl)methanamine?
The InChIKey is KKVNSGLVGCBHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4S/c1-10(2)15-14(9-17-3)21-16(20-15)11-4-5-12-13(8-11)19-7-6-18-12/h4-8,10,17H,9H2,1-3H3.
What are the key properties of N-methyl-1-(4-propan-2-yl-2-quinoxalin-6-yl-1,3-thiazol-5-yl)methanamine?
N-methyl-1-(4-propan-2-yl-2-quinoxalin-6-yl-1,3-thiazol-5-yl)methanamine has a molecular weight of 298.42 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-propan-2-yl-2-quinoxalin-6-yl-1,3-thiazol-5-yl)methanamine is sourced from PubChem (CID 114364781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).