1-[2-(5-chloro-2-pyridinyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine

C13H16ClN3S — CID 114364911

IUPAC1-[2-(5-chloro-2-pyridinyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(-c2ccc(Cl)cn2)nc1C(C)C
InChIInChI=1S/C13H16ClN3S/c1-8(2)12-11(7-15-3)18-13(17-12)10-5-4-9(14)6-16-10/h4-6,8,15H,7H2,1-3H3
InChIKeyKYXMKBUKQZBSFD-UHFFFAOYSA-N
MW281.81 g/mol
LogP3.70
Rot. Bonds4

About 1-[2-(5-chloro-2-pyridinyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine

1-[2-(5-chloro-2-pyridinyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 114364911) has the molecular formula C13H16ClN3S and a molecular weight of 281.81 g/mol. Its IUPAC name is 1-[2-(5-chloro-2-pyridinyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(5-chloro-2-pyridinyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID114364911
Molecular FormulaC13H16ClN3S
Molecular Weight281.81 g/mol
Exact Mass281.08
IUPAC Name1-[2-(5-chloro-2-pyridinyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(-c2ccc(Cl)cn2)nc1C(C)C
InChIInChI=1S/C13H16ClN3S/c1-8(2)12-11(7-15-3)18-13(17-12)10-5-4-9(14)6-16-10/h4-6,8,15H,7H2,1-3H3
InChIKeyKYXMKBUKQZBSFD-UHFFFAOYSA-N
XLogP3.70
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.81
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-tert-butyl-2-(5-chloro-2-pyridinyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114362493
1-[2-(3-chlorophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114364723
N-methyl-1-[2-(2-methylpyrimidin-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 114364758
1-[2-(6-methoxypyrimidin-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 102952841
N-[[2-(5-chloro-2-pyridinyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114369537
N-methyl-1-[2-(4-methylsulfanylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 106849680
[2-(5-bromo-2-pyridinyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 114361381
N-methyl-1-(4-propan-2-yl-2-quinoxalin-6-yl-1,3-thiazol-5-yl)methanamine
CID 114364781
N-[[2-(5-chloro-2-pyridinyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114367264
N-methyl-1-[4-propan-2-yl-2-(pyridin-4-ylmethyl)-1,3-thiazol-5-yl]methanamine
CID 114364727
1-[2-(3-fluorophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114364905
2-methyl-N-[[2-(6-methyl-2-pyridinyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114365821

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chloro-2-pyridinyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(5-chloro-2-pyridinyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine (CID 114364911) is 1-[2-(5-chloro-2-pyridinyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(5-chloro-2-pyridinyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(5-chloro-2-pyridinyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine is CNCc1sc(-c2ccc(Cl)cn2)nc1C(C)C.
What is the InChIKey of 1-[2-(5-chloro-2-pyridinyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is KYXMKBUKQZBSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3S/c1-8(2)12-11(7-15-3)18-13(17-12)10-5-4-9(14)6-16-10/h4-6,8,15H,7H2,1-3H3.
What are the key properties of 1-[2-(5-chloro-2-pyridinyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[2-(5-chloro-2-pyridinyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 281.81 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-chloro-2-pyridinyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 114364911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).