N-[[4-(azocan-1-ylmethyl)-1,3-thiazol-2-yl]methyl]ethanamine

C14H25N3S — CID 62417685

IUPACN-[[4-(azocan-1-ylmethyl)-1,3-thiazol-2-yl]methyl]ethanamine
SMILESCCNCc1nc(CN2CCCCCCC2)cs1
InChIInChI=1S/C14H25N3S/c1-2-15-10-14-16-13(12-18-14)11-17-8-6-4-3-5-7-9-17/h12,15H,2-11H2,1H3
InChIKeyMFMZSMUMNJBVTI-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.02
Rot. Bonds5

About N-[[4-(azocan-1-ylmethyl)-1,3-thiazol-2-yl]methyl]ethanamine

N-[[4-(azocan-1-ylmethyl)-1,3-thiazol-2-yl]methyl]ethanamine (PubChem CID 62417685) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is N-[[4-(azocan-1-ylmethyl)-1,3-thiazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(azocan-1-ylmethyl)-1,3-thiazol-2-yl]methyl]ethanamine
PubChem CID62417685
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC NameN-[[4-(azocan-1-ylmethyl)-1,3-thiazol-2-yl]methyl]ethanamine
SMILESCCNCc1nc(CN2CCCCCCC2)cs1
InChIInChI=1S/C14H25N3S/c1-2-15-10-14-16-13(12-18-14)11-17-8-6-4-3-5-7-9-17/h12,15H,2-11H2,1H3
InChIKeyMFMZSMUMNJBVTI-UHFFFAOYSA-N
XLogP3.02
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(1,4-thiazepan-4-ylmethyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62413635
N-[[4-(1,4-oxazepan-4-ylmethyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62974846
N-[[4-[(4-tert-butylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 62411427
N-[[4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 107395568
2,2-dimethyl-N-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]propanamide
CID 110368584
N-[[4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 102745994
N-[[4-[(2-methylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 55070265
N-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62439479
1-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propan-2-amine
CID 82044404
2-methyl-N-[[4-[(4-propan-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 103503363
N-[[4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 102967937
1-benzyl-3-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]urea
CID 110368636

Frequently Asked Questions

What is the IUPAC name of N-[[4-(azocan-1-ylmethyl)-1,3-thiazol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[4-(azocan-1-ylmethyl)-1,3-thiazol-2-yl]methyl]ethanamine (CID 62417685) is N-[[4-(azocan-1-ylmethyl)-1,3-thiazol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(azocan-1-ylmethyl)-1,3-thiazol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-(azocan-1-ylmethyl)-1,3-thiazol-2-yl]methyl]ethanamine is CCNCc1nc(CN2CCCCCCC2)cs1.
What is the InChIKey of N-[[4-(azocan-1-ylmethyl)-1,3-thiazol-2-yl]methyl]ethanamine?
The InChIKey is MFMZSMUMNJBVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-2-15-10-14-16-13(12-18-14)11-17-8-6-4-3-5-7-9-17/h12,15H,2-11H2,1H3.
What are the key properties of N-[[4-(azocan-1-ylmethyl)-1,3-thiazol-2-yl]methyl]ethanamine?
N-[[4-(azocan-1-ylmethyl)-1,3-thiazol-2-yl]methyl]ethanamine has a molecular weight of 267.44 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(azocan-1-ylmethyl)-1,3-thiazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 62417685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).