N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine

C13H15N3S — CID 62404435

IUPACN-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine
SMILESCc1nc(-c2cccnc2)sc1CNC1CC1
InChIInChI=1S/C13H15N3S/c1-9-12(8-15-11-4-5-11)17-13(16-9)10-3-2-6-14-7-10/h2-3,6-7,11,15H,4-5,8H2,1H3
InChIKeyCPXTUFICNFIVNU-UHFFFAOYSA-N
MW245.35 g/mol
LogP2.77
Rot. Bonds4

About N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine

N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine (PubChem CID 62404435) has the molecular formula C13H15N3S and a molecular weight of 245.35 g/mol. Its IUPAC name is N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine
PubChem CID62404435
Molecular FormulaC13H15N3S
Molecular Weight245.35 g/mol
Exact Mass245.10
IUPAC NameN-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine
SMILESCc1nc(-c2cccnc2)sc1CNC1CC1
InChIInChI=1S/C13H15N3S/c1-9-12(8-15-11-4-5-11)17-13(16-9)10-3-2-6-14-7-10/h2-3,6-7,11,15H,4-5,8H2,1H3
InChIKeyCPXTUFICNFIVNU-UHFFFAOYSA-N
XLogP2.77
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(3-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 62402346
3-[5-[(cyclopropylamino)methyl]-4-methyl-1,3-thiazol-2-yl]phenol
CID 114016134
N-[[2-(2,6-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 62403915
N-[[2-(3-bromo-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 107915395
N-[(4-methyl-2-pyrimidin-4-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine
CID 63990433
N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 121122169
N-[[4-methyl-2-(6-methyl-2-pyridinyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 63554033
4-methyl-2-pyridin-3-yl-5-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 116885169
1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)propan-2-one
CID 82289672
3,5-dimethyl-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 121122475
O-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]hydroxylamine
CID 143129382
2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide
CID 23467885

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine (CID 62404435) is N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine is Cc1nc(-c2cccnc2)sc1CNC1CC1.
What is the InChIKey of N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine?
The InChIKey is CPXTUFICNFIVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S/c1-9-12(8-15-11-4-5-11)17-13(16-9)10-3-2-6-14-7-10/h2-3,6-7,11,15H,4-5,8H2,1H3.
What are the key properties of N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine?
N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine has a molecular weight of 245.35 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine is sourced from PubChem (CID 62404435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).