1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea

C14H24N4OS — CID 94030344

IUPAC1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
SMILESCc1csc(CNC(=O)NCCN2CCCC[C@@H]2C)n1
InChIInChI=1S/C14H24N4OS/c1-11-10-20-13(17-11)9-16-14(19)15-6-8-18-7-4-3-5-12(18)2/h10,12H,3-9H2,1-2H3,(H2,15,16,19)/t12-/m0/s1
InChIKeyBTDJJKKTJPUXOT-LBPRGKRZSA-N
MW296.44 g/mol
LogP2.13
Rot. Bonds5

About 1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea

1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea (PubChem CID 94030344) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is 1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea.

Molecular Properties

Compound Name1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
PubChem CID94030344
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC Name1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
SMILESCc1csc(CNC(=O)NCCN2CCCC[C@@H]2C)n1
InChIInChI=1S/C14H24N4OS/c1-11-10-20-13(17-11)9-16-14(19)15-6-8-18-7-4-3-5-12(18)2/h10,12H,3-9H2,1-2H3,(H2,15,16,19)/t12-/m0/s1
InChIKeyBTDJJKKTJPUXOT-LBPRGKRZSA-N
XLogP2.13
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea?
The IUPAC name of 1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea (CID 94030344) is 1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea.
What is the SMILES notation for 1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea?
The canonical SMILES for 1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea is Cc1csc(CNC(=O)NCCN2CCCC[C@@H]2C)n1.
What is the InChIKey of 1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea?
The InChIKey is BTDJJKKTJPUXOT-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-11-10-20-13(17-11)9-16-14(19)15-6-8-18-7-4-3-5-12(18)2/h10,12H,3-9H2,1-2H3,(H2,15,16,19)/t12-/m0/s1.
What are the key properties of 1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea?
1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea has a molecular weight of 296.44 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea is sourced from PubChem (CID 94030344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).