(2S)-N-carbamoyl-2-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]propanamide

C16H24N4O2S — CID 164635726

IUPAC(2S)-N-carbamoyl-2-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]propanamide
SMILESC[C@@H](C(=O)NC(N)=O)N1CCC(c2nc3c(s2)CCCC3)CC1
InChIInChI=1S/C16H24N4O2S/c1-10(14(21)19-16(17)22)20-8-6-11(7-9-20)15-18-12-4-2-3-5-13(12)23-15/h10-11H,2-9H2,1H3,(H3,17,19,21,22)/t10-/m0/s1
InChIKeyQENGLHIJKRTYCT-JTQLQIEISA-N
MW336.46 g/mol
LogP1.78
Rot. Bonds3

About (2S)-N-carbamoyl-2-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]propanamide

(2S)-N-carbamoyl-2-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]propanamide (PubChem CID 164635726) has the molecular formula C16H24N4O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is (2S)-N-carbamoyl-2-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-carbamoyl-2-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]propanamide
PubChem CID164635726
Molecular FormulaC16H24N4O2S
Molecular Weight336.46 g/mol
Exact Mass336.16
IUPAC Name(2S)-N-carbamoyl-2-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]propanamide
SMILESC[C@@H](C(=O)NC(N)=O)N1CCC(c2nc3c(s2)CCCC3)CC1
InChIInChI=1S/C16H24N4O2S/c1-10(14(21)19-16(17)22)20-8-6-11(7-9-20)15-18-12-4-2-3-5-13(12)23-15/h10-11H,2-9H2,1H3,(H3,17,19,21,22)/t10-/m0/s1
InChIKeyQENGLHIJKRTYCT-JTQLQIEISA-N
XLogP1.78
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-carbamoyl-2-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]propanamide?
The IUPAC name of (2S)-N-carbamoyl-2-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]propanamide (CID 164635726) is (2S)-N-carbamoyl-2-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-carbamoyl-2-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]propanamide?
The canonical SMILES for (2S)-N-carbamoyl-2-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]propanamide is C[C@@H](C(=O)NC(N)=O)N1CCC(c2nc3c(s2)CCCC3)CC1.
What is the InChIKey of (2S)-N-carbamoyl-2-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]propanamide?
The InChIKey is QENGLHIJKRTYCT-JTQLQIEISA-N. The full InChI is InChI=1S/C16H24N4O2S/c1-10(14(21)19-16(17)22)20-8-6-11(7-9-20)15-18-12-4-2-3-5-13(12)23-15/h10-11H,2-9H2,1H3,(H3,17,19,21,22)/t10-/m0/s1.
What are the key properties of (2S)-N-carbamoyl-2-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]propanamide?
(2S)-N-carbamoyl-2-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]propanamide has a molecular weight of 336.46 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-carbamoyl-2-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-1-yl]propanamide is sourced from PubChem (CID 164635726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).