4-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopent-2-en-1-amine

C11H17N3S — CID 79206994

IUPAC4-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopent-2-en-1-amine
SMILESCc1ncsc1CNCC1C=CC(N)C1
InChIInChI=1S/C11H17N3S/c1-8-11(15-7-14-8)6-13-5-9-2-3-10(12)4-9/h2-3,7,9-10,13H,4-6,12H2,1H3
InChIKeyQVNCCRUJIHBIHS-UHFFFAOYSA-N
MW223.34 g/mol
LogP1.44
Rot. Bonds4

About 4-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopent-2-en-1-amine

4-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopent-2-en-1-amine (PubChem CID 79206994) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is 4-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopent-2-en-1-amine.

Molecular Properties

Compound Name4-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopent-2-en-1-amine
PubChem CID79206994
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC Name4-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopent-2-en-1-amine
SMILESCc1ncsc1CNCC1C=CC(N)C1
InChIInChI=1S/C11H17N3S/c1-8-11(15-7-14-8)6-13-5-9-2-3-10(12)4-9/h2-3,7,9-10,13H,4-6,12H2,1H3
InChIKeyQVNCCRUJIHBIHS-UHFFFAOYSA-N
XLogP1.44
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 115453865
N-[(1-ethylcyclobutyl)methyl]-1-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 115684518
2-methyl-2-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopentan-1-amine
CID 82767770
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(2R,3R)-2-propan-2-yloxolan-3-yl]methanamine
CID 129003995
2,2,3-trimethyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,3-diamine
CID 65267138
2-ethyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,2-diamine
CID 79814122
3-cyclopropyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 115654281
1-(4-methylmorpholin-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 79032822
4-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclopent-2-ene-1-carboxamide
CID 79208489
N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propylethane-1,2-diamine
CID 63283757
4-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]thian-4-ol
CID 115654346
N-[(4-methyl-1,3-thiazol-5-yl)methyl]cycloheptanamine
CID 60983764

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopent-2-en-1-amine?
The IUPAC name of 4-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopent-2-en-1-amine (CID 79206994) is 4-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopent-2-en-1-amine.
What is the SMILES notation for 4-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopent-2-en-1-amine?
The canonical SMILES for 4-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopent-2-en-1-amine is Cc1ncsc1CNCC1C=CC(N)C1.
What is the InChIKey of 4-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopent-2-en-1-amine?
The InChIKey is QVNCCRUJIHBIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S/c1-8-11(15-7-14-8)6-13-5-9-2-3-10(12)4-9/h2-3,7,9-10,13H,4-6,12H2,1H3.
What are the key properties of 4-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopent-2-en-1-amine?
4-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopent-2-en-1-amine has a molecular weight of 223.34 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopent-2-en-1-amine is sourced from PubChem (CID 79206994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).