N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine

C12H13N3S — CID 43234356

IUPACN-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine
SMILESc1ccc(-c2nc(CNC3CC3)cs2)nc1
InChIInChI=1S/C12H13N3S/c1-2-6-13-11(3-1)12-15-10(8-16-12)7-14-9-4-5-9/h1-3,6,8-9,14H,4-5,7H2
InChIKeyKKYSEOIYZXOIMD-UHFFFAOYSA-N
MW231.32 g/mol
LogP2.46
Rot. Bonds4

About N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine

N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine (PubChem CID 43234356) has the molecular formula C12H13N3S and a molecular weight of 231.32 g/mol. Its IUPAC name is N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine
PubChem CID43234356
Molecular FormulaC12H13N3S
Molecular Weight231.32 g/mol
Exact Mass231.08
IUPAC NameN-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine
SMILESc1ccc(-c2nc(CNC3CC3)cs2)nc1
InChIInChI=1S/C12H13N3S/c1-2-6-13-11(3-1)12-15-10(8-16-12)7-14-9-4-5-9/h1-3,6,8-9,14H,4-5,7H2
InChIKeyKKYSEOIYZXOIMD-UHFFFAOYSA-N
XLogP2.46
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,1-dioxo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]thian-4-amine
CID 43778614
4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]pyrrolidin-2-one
CID 106184210
2-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]cyclopropan-1-amine
CID 62396715
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]-2,3,4,5-tetrahydro-1-benzoxepin-3-amine
CID 126812434
1-cyclobutyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 115768471
1-cyclohexyl-3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]urea
CID 108784317
1-cyclopentyl-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]ethanol
CID 111425385
N'-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
CID 55025320
N-[[2-(3-ethyl-2-pyridinyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 82740689
4-fluoro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline
CID 43234338
N'-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine
CID 60893739
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-5-amine
CID 107588206

Frequently Asked Questions

What is the IUPAC name of N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine (CID 43234356) is N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine is c1ccc(-c2nc(CNC3CC3)cs2)nc1.
What is the InChIKey of N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine?
The InChIKey is KKYSEOIYZXOIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3S/c1-2-6-13-11(3-1)12-15-10(8-16-12)7-14-9-4-5-9/h1-3,6,8-9,14H,4-5,7H2.
What are the key properties of N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine?
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine has a molecular weight of 231.32 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine is sourced from PubChem (CID 43234356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).