N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(6-methoxy-3-pyridinyl)methyl]cyclopropanamine

C15H19N3OS — CID 114937745

IUPACN-[(4,5-dimethyl-1,3-thiazol-2-yl)-(6-methoxy-3-pyridinyl)methyl]cyclopropanamine
SMILESCOc1ccc(C(NC2CC2)c2nc(C)c(C)s2)cn1
InChIInChI=1S/C15H19N3OS/c1-9-10(2)20-15(17-9)14(18-12-5-6-12)11-4-7-13(19-3)16-8-11/h4,7-8,12,14,18H,5-6H2,1-3H3
InChIKeyRGOLJGNIGVVVDP-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.00
Rot. Bonds5

About N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(6-methoxy-3-pyridinyl)methyl]cyclopropanamine

N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(6-methoxy-3-pyridinyl)methyl]cyclopropanamine (PubChem CID 114937745) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(6-methoxy-3-pyridinyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-thiazol-2-yl)-(6-methoxy-3-pyridinyl)methyl]cyclopropanamine
PubChem CID114937745
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN-[(4,5-dimethyl-1,3-thiazol-2-yl)-(6-methoxy-3-pyridinyl)methyl]cyclopropanamine
SMILESCOc1ccc(C(NC2CC2)c2nc(C)c(C)s2)cn1
InChIInChI=1S/C15H19N3OS/c1-9-10(2)20-15(17-9)14(18-12-5-6-12)11-4-7-13(19-3)16-8-11/h4,7-8,12,14,18H,5-6H2,1-3H3
InChIKeyRGOLJGNIGVVVDP-UHFFFAOYSA-N
XLogP3.00
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(6-methoxy-3-pyridinyl)methyl]cyclopropanamine with MolForge

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Related Compounds

2-(2-Methoxy-4-pyridinyl)-4-pyridin-3-yl-1,3-thiazole
CID 57384103
2-Methoxy-3-[(2-methyl-4-thiazolyl)ethynyl]pyridine
CID 11499598
2-Methoxy-5-(2-(2-methylthiazol-4-yl)ethynyl)pyridine
CID 11514153
US11608337, Example 15
CID 132085798
4,5-bis(4-methoxyphenyl)-N-(2-pyridin-3-ylethyl)-1,3-thiazole-2-carboxamide
CID 14938757
N-[1-(4-methoxyphenyl)-1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 49790053
4-(6-Methoxy-3-pyridinyl)-2-pyridin-4-yl-1,3-thiazole
CID 57396575
4-(6-Methoxy-3-pyridinyl)-2-pyridin-3-yl-1,3-thiazole
CID 57398353
4-(6-Ethoxy-3-pyridinyl)-2-pyridin-4-yl-1,3-thiazole
CID 57400012
4-[4-(Cyclopropylmethoxy)phenyl]-2-(2-propyl-4-pyridyl)thiazole
CID 118709519
3-[4-(4-Methoxyphenyl)-1,3-thiazol-2-yl]pyridine
CID 727309
4-[4-(4-Methoxyphenyl)-1,3-thiazol-2-yl]-2-propylpyridine
CID 8057213

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(6-methoxy-3-pyridinyl)methyl]cyclopropanamine?
The IUPAC name of N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(6-methoxy-3-pyridinyl)methyl]cyclopropanamine (CID 114937745) is N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(6-methoxy-3-pyridinyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(6-methoxy-3-pyridinyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(6-methoxy-3-pyridinyl)methyl]cyclopropanamine is COc1ccc(C(NC2CC2)c2nc(C)c(C)s2)cn1.
What is the InChIKey of N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(6-methoxy-3-pyridinyl)methyl]cyclopropanamine?
The InChIKey is RGOLJGNIGVVVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-9-10(2)20-15(17-9)14(18-12-5-6-12)11-4-7-13(19-3)16-8-11/h4,7-8,12,14,18H,5-6H2,1-3H3.
What are the key properties of N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(6-methoxy-3-pyridinyl)methyl]cyclopropanamine?
N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(6-methoxy-3-pyridinyl)methyl]cyclopropanamine has a molecular weight of 289.40 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(6-methoxy-3-pyridinyl)methyl]cyclopropanamine is sourced from PubChem (CID 114937745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).