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

C14H16FN3S — CID 112583423

IUPAC1-cyclopropyl-N-[[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]methyl]methanamine
SMILESCc1sc(CNCC2CC2)nc1-c1ccc(F)cn1
InChIInChI=1S/C14H16FN3S/c1-9-14(12-5-4-11(15)7-17-12)18-13(19-9)8-16-6-10-2-3-10/h4-5,7,10,16H,2-3,6,8H2,1H3
InChIKeyGWCRTZKKEOXDOG-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.15
Rot. Bonds5

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

1-cyclopropyl-N-[[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]methyl]methanamine (PubChem CID 112583423) has the molecular formula C14H16FN3S and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-cyclopropyl-N-[[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]methyl]methanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]methyl]methanamine
PubChem CID112583423
Molecular FormulaC14H16FN3S
Molecular Weight277.37 g/mol
Exact Mass277.10
IUPAC Name1-cyclopropyl-N-[[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]methyl]methanamine
SMILESCc1sc(CNCC2CC2)nc1-c1ccc(F)cn1
InChIInChI=1S/C14H16FN3S/c1-9-14(12-5-4-11(15)7-17-12)18-13(19-9)8-16-6-10-2-3-10/h4-5,7,10,16H,2-3,6,8H2,1H3
InChIKeyGWCRTZKKEOXDOG-UHFFFAOYSA-N
XLogP3.15
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-cyclopropyl-N-[[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]methyl]methanamine with MolForge

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Launch Full Analysis

Related Compounds

1-cyclopropyl-N-[[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]methyl]methanamine
CID 83119835
2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]acetic acid
CID 112585209
2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]ethanamine
CID 112583390
[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]hydrazine
CID 112586126
1-cyclopropyl-N-[[5-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]methyl]methanamine
CID 53273353
2-(4-bromophenyl)-4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazole
CID 115941752
1-[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]butan-1-amine
CID 112583395
N-[[4-cyclopropyl-2-(5-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114367130
2-(cyclopropylmethylamino)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 119681458
1-cyclopropyl-N-[[4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]methyl]methanamine
CID 60866946
1-cyclopropyl-N-[[5-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]methanamine
CID 53272743
3-[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]morpholine
CID 102748349

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]methyl]methanamine?
The IUPAC name of 1-cyclopropyl-N-[[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]methyl]methanamine (CID 112583423) is 1-cyclopropyl-N-[[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]methyl]methanamine.
What is the SMILES notation for 1-cyclopropyl-N-[[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]methyl]methanamine?
The canonical SMILES for 1-cyclopropyl-N-[[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]methyl]methanamine is Cc1sc(CNCC2CC2)nc1-c1ccc(F)cn1.
What is the InChIKey of 1-cyclopropyl-N-[[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]methyl]methanamine?
The InChIKey is GWCRTZKKEOXDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3S/c1-9-14(12-5-4-11(15)7-17-12)18-13(19-9)8-16-6-10-2-3-10/h4-5,7,10,16H,2-3,6,8H2,1H3.
What are the key properties of 1-cyclopropyl-N-[[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]methyl]methanamine?
1-cyclopropyl-N-[[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]methyl]methanamine has a molecular weight of 277.37 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]methyl]methanamine is sourced from PubChem (CID 112583423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).