N-[[5-(aminomethyl)oxolan-2-yl]methyl]-2-(1,3-thiazol-2-yl)propan-1-amine

C12H21N3OS — CID 114128154

IUPACN-[[5-(aminomethyl)oxolan-2-yl]methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
SMILESCC(CNCC1CCC(CN)O1)c1nccs1
InChIInChI=1S/C12H21N3OS/c1-9(12-15-4-5-17-12)7-14-8-11-3-2-10(6-13)16-11/h4-5,9-11,14H,2-3,6-8,13H2,1H3
InChIKeyPCNPMUFFCVEBOV-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.34
Rot. Bonds6

About N-[[5-(aminomethyl)oxolan-2-yl]methyl]-2-(1,3-thiazol-2-yl)propan-1-amine

N-[[5-(aminomethyl)oxolan-2-yl]methyl]-2-(1,3-thiazol-2-yl)propan-1-amine (PubChem CID 114128154) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is N-[[5-(aminomethyl)oxolan-2-yl]methyl]-2-(1,3-thiazol-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-[[5-(aminomethyl)oxolan-2-yl]methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
PubChem CID114128154
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC NameN-[[5-(aminomethyl)oxolan-2-yl]methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
SMILESCC(CNCC1CCC(CN)O1)c1nccs1
InChIInChI=1S/C12H21N3OS/c1-9(12-15-4-5-17-12)7-14-8-11-3-2-10(6-13)16-11/h4-5,9-11,14H,2-3,6-8,13H2,1H3
InChIKeyPCNPMUFFCVEBOV-UHFFFAOYSA-N
XLogP1.34
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-thiazol-2-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 104588791
1-cyclopropyl-N-[2-(1,3-thiazol-2-yl)propyl]propan-2-amine
CID 104584982
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588597
N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 114127097
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 103527680
1-(4-methylphenyl)-N'-[2-(1,3-thiazol-2-yl)propyl]ethane-1,2-diamine
CID 106313186
N-[2-(1,3-thiazol-2-yl)propyl]pyrimidin-2-amine
CID 104577139
2-(1,3-thiazol-2-yl)-N-(thiophen-3-ylmethyl)propan-1-amine
CID 104588660
1-(1,3-thiazol-2-yl)-N-(thiolan-2-ylmethyl)ethanamine
CID 80584011
N-[2-(1,3-thiazol-2-yl)propyl]adamantan-2-amine
CID 104584992
2-amino-N-[2-(1,3-thiazol-2-yl)propyl]cyclohexane-1-carboxamide
CID 114127550
4-[2-(1,3-thiazol-2-yl)propylamino]piperidine-1-carboxamide
CID 104584924

Frequently Asked Questions

What is the IUPAC name of N-[[5-(aminomethyl)oxolan-2-yl]methyl]-2-(1,3-thiazol-2-yl)propan-1-amine?
The IUPAC name of N-[[5-(aminomethyl)oxolan-2-yl]methyl]-2-(1,3-thiazol-2-yl)propan-1-amine (CID 114128154) is N-[[5-(aminomethyl)oxolan-2-yl]methyl]-2-(1,3-thiazol-2-yl)propan-1-amine.
What is the SMILES notation for N-[[5-(aminomethyl)oxolan-2-yl]methyl]-2-(1,3-thiazol-2-yl)propan-1-amine?
The canonical SMILES for N-[[5-(aminomethyl)oxolan-2-yl]methyl]-2-(1,3-thiazol-2-yl)propan-1-amine is CC(CNCC1CCC(CN)O1)c1nccs1.
What is the InChIKey of N-[[5-(aminomethyl)oxolan-2-yl]methyl]-2-(1,3-thiazol-2-yl)propan-1-amine?
The InChIKey is PCNPMUFFCVEBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-9(12-15-4-5-17-12)7-14-8-11-3-2-10(6-13)16-11/h4-5,9-11,14H,2-3,6-8,13H2,1H3.
What are the key properties of N-[[5-(aminomethyl)oxolan-2-yl]methyl]-2-(1,3-thiazol-2-yl)propan-1-amine?
N-[[5-(aminomethyl)oxolan-2-yl]methyl]-2-(1,3-thiazol-2-yl)propan-1-amine has a molecular weight of 255.39 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(aminomethyl)oxolan-2-yl]methyl]-2-(1,3-thiazol-2-yl)propan-1-amine is sourced from PubChem (CID 114128154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).