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

C14H17N3S — CID 116886932

IUPACN-methyl-1-[1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)cyclopropyl]methanamine
SMILESCNCC1(c2sc(-c3cccnc3)nc2C)CC1
InChIInChI=1S/C14H17N3S/c1-10-12(14(5-6-14)9-15-2)18-13(17-10)11-4-3-7-16-8-11/h3-4,7-8,15H,5-6,9H2,1-2H3
InChIKeyQSAOQHWEXRSYJK-UHFFFAOYSA-N
MW259.38 g/mol
LogP2.76
Rot. Bonds4

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

N-methyl-1-[1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)cyclopropyl]methanamine (PubChem CID 116886932) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is N-methyl-1-[1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)cyclopropyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)cyclopropyl]methanamine
PubChem CID116886932
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC NameN-methyl-1-[1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)cyclopropyl]methanamine
SMILESCNCC1(c2sc(-c3cccnc3)nc2C)CC1
InChIInChI=1S/C14H17N3S/c1-10-12(14(5-6-14)9-15-2)18-13(17-10)11-4-3-7-16-8-11/h3-4,7-8,15H,5-6,9H2,1-2H3
InChIKeyQSAOQHWEXRSYJK-UHFFFAOYSA-N
XLogP2.76
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]cyclopropyl]-N-methylmethanamine
CID 116886927
1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)cyclobutane-1-carbonitrile
CID 116886959
N,4-dimethyl-2-pyridin-3-yl-1,3-thiazol-5-amine
CID 59580850
N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine
CID 62404435
5-(azetidin-3-yl)-4-methyl-2-pyridin-3-yl-1,3-thiazole
CID 116885014
1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)propan-2-one
CID 82289672
N-methyl-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanamine
CID 61287607
2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide
CID 23467885
O-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]hydroxylamine
CID 143129382
N-(4-methylphenyl)-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide
CID 110329096
N-methyl-1-(1-pyridin-3-ylcyclobutyl)methanamine
CID 80522291
4-methyl-2-pyridin-3-yl-5-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 116885169

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)cyclopropyl]methanamine?
The IUPAC name of N-methyl-1-[1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)cyclopropyl]methanamine (CID 116886932) is N-methyl-1-[1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)cyclopropyl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)cyclopropyl]methanamine?
The canonical SMILES for N-methyl-1-[1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)cyclopropyl]methanamine is CNCC1(c2sc(-c3cccnc3)nc2C)CC1.
What is the InChIKey of N-methyl-1-[1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)cyclopropyl]methanamine?
The InChIKey is QSAOQHWEXRSYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c1-10-12(14(5-6-14)9-15-2)18-13(17-10)11-4-3-7-16-8-11/h3-4,7-8,15H,5-6,9H2,1-2H3.
What are the key properties of N-methyl-1-[1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)cyclopropyl]methanamine?
N-methyl-1-[1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)cyclopropyl]methanamine has a molecular weight of 259.38 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)cyclopropyl]methanamine is sourced from PubChem (CID 116886932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).