N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]thiolan-3-amine

C10H16N2S2 — CID 103062804

IUPACN-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]thiolan-3-amine
SMILESCc1ncsc1CCNC1CCSC1
InChIInChI=1S/C10H16N2S2/c1-8-10(14-7-12-8)2-4-11-9-3-5-13-6-9/h7,9,11H,2-6H2,1H3
InChIKeyVICMZKAGLWYMEK-UHFFFAOYSA-N
MW228.39 g/mol
LogP2.09
Rot. Bonds4

About N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]thiolan-3-amine

N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]thiolan-3-amine (PubChem CID 103062804) has the molecular formula C10H16N2S2 and a molecular weight of 228.39 g/mol. Its IUPAC name is N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]thiolan-3-amine.

Molecular Properties

Compound NameN-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]thiolan-3-amine
PubChem CID103062804
Molecular FormulaC10H16N2S2
Molecular Weight228.39 g/mol
Exact Mass228.08
IUPAC NameN-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]thiolan-3-amine
SMILESCc1ncsc1CCNC1CCSC1
InChIInChI=1S/C10H16N2S2/c1-8-10(14-7-12-8)2-4-11-9-3-5-13-6-9/h7,9,11H,2-6H2,1H3
InChIKeyVICMZKAGLWYMEK-UHFFFAOYSA-N
XLogP2.09
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.39
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclohexan-1-amine
CID 64742874
N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-propylcyclohexan-1-amine
CID 62069776
9-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 65470686
2,2-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclopropan-1-amine
CID 62070485
N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]tricyclo[3.2.1.02,4]octan-3-amine
CID 114095982
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]thiolan-3-amine
CID 115729045
N-[2-(1,3-dimethylpyrazol-4-yl)ethyl]thiolan-3-amine
CID 115895157
N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]piperidin-4-amine
CID 31017899
N-[(4-methyl-1,3-thiazol-5-yl)methyl]cycloheptanamine
CID 60983764
N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]thiolan-3-amine
CID 115716272
N-[2-(1-methylpyrazol-4-yl)ethyl]thiolan-3-amine
CID 80682977
5-(2-iodoethyl)-4-methyl-1,3-thiazole
CID 3031968

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]thiolan-3-amine?
The IUPAC name of N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]thiolan-3-amine (CID 103062804) is N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]thiolan-3-amine.
What is the SMILES notation for N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]thiolan-3-amine?
The canonical SMILES for N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]thiolan-3-amine is Cc1ncsc1CCNC1CCSC1.
What is the InChIKey of N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]thiolan-3-amine?
The InChIKey is VICMZKAGLWYMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S2/c1-8-10(14-7-12-8)2-4-11-9-3-5-13-6-9/h7,9,11H,2-6H2,1H3.
What are the key properties of N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]thiolan-3-amine?
N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]thiolan-3-amine has a molecular weight of 228.39 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]thiolan-3-amine is sourced from PubChem (CID 103062804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).