N-methyl-2-(methylcarbamoylamino)-N-[[(4R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methyl]acetamide

C14H22N4O2S — CID 129333127

IUPACN-methyl-2-(methylcarbamoylamino)-N-[[(4R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methyl]acetamide
SMILESCNC(=O)NCC(=O)N(C)C[C@H]1CCCc2sc(C)nc21
InChIInChI=1S/C14H22N4O2S/c1-9-17-13-10(5-4-6-11(13)21-9)8-18(3)12(19)7-16-14(20)15-2/h10H,4-8H2,1-3H3,(H2,15,16,20)/t10-/m1/s1
InChIKeyLVCQYBRYSDJFBX-SNVBAGLBSA-N
MW310.42 g/mol
LogP1.26
Rot. Bonds4

About N-methyl-2-(methylcarbamoylamino)-N-[[(4R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methyl]acetamide

N-methyl-2-(methylcarbamoylamino)-N-[[(4R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methyl]acetamide (PubChem CID 129333127) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-methyl-2-(methylcarbamoylamino)-N-[[(4R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-(methylcarbamoylamino)-N-[[(4R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methyl]acetamide
PubChem CID129333127
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC NameN-methyl-2-(methylcarbamoylamino)-N-[[(4R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methyl]acetamide
SMILESCNC(=O)NCC(=O)N(C)C[C@H]1CCCc2sc(C)nc21
InChIInChI=1S/C14H22N4O2S/c1-9-17-13-10(5-4-6-11(13)21-9)8-18(3)12(19)7-16-14(20)15-2/h10H,4-8H2,1-3H3,(H2,15,16,20)/t10-/m1/s1
InChIKeyLVCQYBRYSDJFBX-SNVBAGLBSA-N
XLogP1.26
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(methylcarbamoylamino)-N-[[(4R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methyl]acetamide?
The IUPAC name of N-methyl-2-(methylcarbamoylamino)-N-[[(4R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methyl]acetamide (CID 129333127) is N-methyl-2-(methylcarbamoylamino)-N-[[(4R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methyl]acetamide.
What is the SMILES notation for N-methyl-2-(methylcarbamoylamino)-N-[[(4R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methyl]acetamide?
The canonical SMILES for N-methyl-2-(methylcarbamoylamino)-N-[[(4R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methyl]acetamide is CNC(=O)NCC(=O)N(C)C[C@H]1CCCc2sc(C)nc21.
What is the InChIKey of N-methyl-2-(methylcarbamoylamino)-N-[[(4R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methyl]acetamide?
The InChIKey is LVCQYBRYSDJFBX-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-9-17-13-10(5-4-6-11(13)21-9)8-18(3)12(19)7-16-14(20)15-2/h10H,4-8H2,1-3H3,(H2,15,16,20)/t10-/m1/s1.
What are the key properties of N-methyl-2-(methylcarbamoylamino)-N-[[(4R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methyl]acetamide?
N-methyl-2-(methylcarbamoylamino)-N-[[(4R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methyl]acetamide has a molecular weight of 310.42 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(methylcarbamoylamino)-N-[[(4R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methyl]acetamide is sourced from PubChem (CID 129333127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).