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

C10H16N2O2S2 — CID 60941990

IUPACN-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,1-dioxothian-4-amine
SMILESCc1ncc(CNC2CCS(=O)(=O)CC2)s1
InChIInChI=1S/C10H16N2O2S2/c1-8-11-6-10(15-8)7-12-9-2-4-16(13,14)5-3-9/h6,9,12H,2-5,7H2,1H3
InChIKeyZHAAWCAAACHKJX-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.12
Rot. Bonds3

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

N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,1-dioxothian-4-amine (PubChem CID 60941990) has the molecular formula C10H16N2O2S2 and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,1-dioxothian-4-amine.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,1-dioxothian-4-amine
PubChem CID60941990
Molecular FormulaC10H16N2O2S2
Molecular Weight260.38 g/mol
Exact Mass260.07
IUPAC NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,1-dioxothian-4-amine
SMILESCc1ncc(CNC2CCS(=O)(=O)CC2)s1
InChIInChI=1S/C10H16N2O2S2/c1-8-11-6-10(15-8)7-12-9-2-4-16(13,14)5-3-9/h6,9,12H,2-5,7H2,1H3
InChIKeyZHAAWCAAACHKJX-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-5-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62704086
N-[(2-methyl-1,3-thiazol-5-yl)methyl]oxetan-3-amine
CID 63622731
(4R)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]oxepan-4-amine
CID 124509220
N-[(5-methylthiophen-2-yl)methyl]-1,1-dioxothian-4-amine
CID 43614827
N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiolan-3-amine
CID 61280795
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 60958342
1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexane-1,3-diamine
CID 79459261
5-[(2-methyl-1,3-thiazol-5-yl)methylamino]piperidin-2-one
CID 63378448
3-methylsulfanyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopentan-1-amine
CID 115656347
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-phenylpiperidin-4-amine
CID 103625271
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,1-dioxothian-4-amine
CID 43615105
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1,1-dioxothian-3-amine
CID 63921924

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,1-dioxothian-4-amine?
The IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,1-dioxothian-4-amine (CID 60941990) is N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,1-dioxothian-4-amine.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,1-dioxothian-4-amine?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,1-dioxothian-4-amine is Cc1ncc(CNC2CCS(=O)(=O)CC2)s1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,1-dioxothian-4-amine?
The InChIKey is ZHAAWCAAACHKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S2/c1-8-11-6-10(15-8)7-12-9-2-4-16(13,14)5-3-9/h6,9,12H,2-5,7H2,1H3.
What are the key properties of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,1-dioxothian-4-amine?
N-[(2-methyl-1,3-thiazol-5-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-5-yl)methyl]-1,1-dioxothian-4-amine is sourced from PubChem (CID 60941990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).