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

C12H20N2OS2 — CID 54981247

IUPACN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-oxothian-4-amine
SMILESCc1nc(C)c(C(C)NC2CCS(=O)CC2)s1
InChIInChI=1S/C12H20N2OS2/c1-8-12(16-10(3)13-8)9(2)14-11-4-6-17(15)7-5-11/h9,11,14H,4-7H2,1-3H3
InChIKeyGDEOMGRKGDIHCU-UHFFFAOYSA-N
MW272.44 g/mol
LogP2.32
Rot. Bonds3

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

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-oxothian-4-amine (PubChem CID 54981247) has the molecular formula C12H20N2OS2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-oxothian-4-amine.

Molecular Properties

Compound NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-oxothian-4-amine
PubChem CID54981247
Molecular FormulaC12H20N2OS2
Molecular Weight272.44 g/mol
Exact Mass272.10
IUPAC NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-oxothian-4-amine
SMILESCc1nc(C)c(C(C)NC2CCS(=O)CC2)s1
InChIInChI=1S/C12H20N2OS2/c1-8-12(16-10(3)13-8)9(2)14-11-4-6-17(15)7-5-11/h9,11,14H,4-7H2,1-3H3
InChIKeyGDEOMGRKGDIHCU-UHFFFAOYSA-N
XLogP2.32
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cycloheptanamine
CID 61059148
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-propan-2-ylcycloheptan-1-amine
CID 65091070
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-propylcyclohexan-1-amine
CID 61059456
5-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]piperidin-2-one
CID 55241371
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 61192995
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1-oxothian-4-amine
CID 54981912
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-phenylcyclobutan-1-amine
CID 61192512
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 63752942
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cyclopropanecarboxamide
CID 47317373
N-cyclopropyl-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]propanamide
CID 61192769
N-[(1R)-1-(4-methylphenyl)ethyl]-1-oxothian-4-amine
CID 81349741
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 63752266

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-oxothian-4-amine?
The IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-oxothian-4-amine (CID 54981247) is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-oxothian-4-amine.
What is the SMILES notation for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-oxothian-4-amine?
The canonical SMILES for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-oxothian-4-amine is Cc1nc(C)c(C(C)NC2CCS(=O)CC2)s1.
What is the InChIKey of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-oxothian-4-amine?
The InChIKey is GDEOMGRKGDIHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS2/c1-8-12(16-10(3)13-8)9(2)14-11-4-6-17(15)7-5-11/h9,11,14H,4-7H2,1-3H3.
What are the key properties of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-oxothian-4-amine?
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-oxothian-4-amine has a molecular weight of 272.44 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-oxothian-4-amine is sourced from PubChem (CID 54981247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).