N-methyl-5-(methylaminomethyl)-N-(thiolan-3-yl)-1,3-thiazol-2-amine

C10H17N3S2 — CID 62751271

IUPACN-methyl-5-(methylaminomethyl)-N-(thiolan-3-yl)-1,3-thiazol-2-amine
SMILESCNCc1cnc(N(C)C2CCSC2)s1
InChIInChI=1S/C10H17N3S2/c1-11-5-9-6-12-10(15-9)13(2)8-3-4-14-7-8/h6,8,11H,3-5,7H2,1-2H3
InChIKeyDMVMIXUBFSDXCV-UHFFFAOYSA-N
MW243.40 g/mol
LogP1.80
Rot. Bonds4

About N-methyl-5-(methylaminomethyl)-N-(thiolan-3-yl)-1,3-thiazol-2-amine

N-methyl-5-(methylaminomethyl)-N-(thiolan-3-yl)-1,3-thiazol-2-amine (PubChem CID 62751271) has the molecular formula C10H17N3S2 and a molecular weight of 243.40 g/mol. Its IUPAC name is N-methyl-5-(methylaminomethyl)-N-(thiolan-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-5-(methylaminomethyl)-N-(thiolan-3-yl)-1,3-thiazol-2-amine
PubChem CID62751271
Molecular FormulaC10H17N3S2
Molecular Weight243.40 g/mol
Exact Mass243.09
IUPAC NameN-methyl-5-(methylaminomethyl)-N-(thiolan-3-yl)-1,3-thiazol-2-amine
SMILESCNCc1cnc(N(C)C2CCSC2)s1
InChIInChI=1S/C10H17N3S2/c1-11-5-9-6-12-10(15-9)13(2)8-3-4-14-7-8/h6,8,11H,3-5,7H2,1-2H3
InChIKeyDMVMIXUBFSDXCV-UHFFFAOYSA-N
XLogP1.80
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.40
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(methylaminomethyl)-N-(thiolan-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-5-(methylaminomethyl)-N-(thiolan-3-yl)-1,3-thiazol-2-amine (CID 62751271) is N-methyl-5-(methylaminomethyl)-N-(thiolan-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-5-(methylaminomethyl)-N-(thiolan-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-5-(methylaminomethyl)-N-(thiolan-3-yl)-1,3-thiazol-2-amine is CNCc1cnc(N(C)C2CCSC2)s1.
What is the InChIKey of N-methyl-5-(methylaminomethyl)-N-(thiolan-3-yl)-1,3-thiazol-2-amine?
The InChIKey is DMVMIXUBFSDXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S2/c1-11-5-9-6-12-10(15-9)13(2)8-3-4-14-7-8/h6,8,11H,3-5,7H2,1-2H3.
What are the key properties of N-methyl-5-(methylaminomethyl)-N-(thiolan-3-yl)-1,3-thiazol-2-amine?
N-methyl-5-(methylaminomethyl)-N-(thiolan-3-yl)-1,3-thiazol-2-amine has a molecular weight of 243.40 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(methylaminomethyl)-N-(thiolan-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62751271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).