N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,1-dioxothian-4-amine

C10H16N2O2S2 — CID 43615105

IUPACN-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,1-dioxothian-4-amine
SMILESCc1nc(CNC2CCS(=O)(=O)CC2)cs1
InChIInChI=1S/C10H16N2O2S2/c1-8-12-10(7-15-8)6-11-9-2-4-16(13,14)5-3-9/h7,9,11H,2-6H2,1H3
InChIKeyVCIBRJMGMOQBAI-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.12
Rot. Bonds3

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

N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,1-dioxothian-4-amine (PubChem CID 43615105) has the molecular formula C10H16N2O2S2 and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,1-dioxothian-4-amine.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,1-dioxothian-4-amine
PubChem CID43615105
Molecular FormulaC10H16N2O2S2
Molecular Weight260.38 g/mol
Exact Mass260.07
IUPAC NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,1-dioxothian-4-amine
SMILESCc1nc(CNC2CCS(=O)(=O)CC2)cs1
InChIInChI=1S/C10H16N2O2S2/c1-8-12-10(7-15-8)6-11-9-2-4-16(13,14)5-3-9/h7,9,11H,2-6H2,1H3
InChIKeyVCIBRJMGMOQBAI-UHFFFAOYSA-N
XLogP1.12
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexanamine
CID 28780749
1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
CID 43215967
N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxan-4-amine
CID 43609962
1,1-dioxo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]thian-4-amine
CID 43778614
N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-amine
CID 63335816
1-methyl-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidin-2-one
CID 64654695
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,1-dioxothian-4-amine
CID 60941990
2-methoxy-1-[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]ethanone
CID 43747634
3-methylsulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine
CID 79002701
1-(3-methylbut-2-enyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
CID 61282827
1,1-dioxo-N-[(2,4,6-trimethylphenyl)methyl]thian-4-amine
CID 43614931
2-[(2-methyl-1,3-thiazol-4-yl)methylamino]cyclopentan-1-ol
CID 61285787

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,1-dioxothian-4-amine?
The IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,1-dioxothian-4-amine (CID 43615105) is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,1-dioxothian-4-amine.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,1-dioxothian-4-amine?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,1-dioxothian-4-amine is Cc1nc(CNC2CCS(=O)(=O)CC2)cs1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,1-dioxothian-4-amine?
The InChIKey is VCIBRJMGMOQBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S2/c1-8-12-10(7-15-8)6-11-9-2-4-16(13,14)5-3-9/h7,9,11H,2-6H2,1H3.
What are the key properties of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,1-dioxothian-4-amine?
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,1-dioxothian-4-amine has a molecular weight of 260.38 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,1-dioxothian-4-amine is sourced from PubChem (CID 43615105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).