N-cyclopropyl-N-[4-[[[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-methylamino]methyl]-1,3-thiazol-2-yl]acetamide

C18H29N3O2S — CID 95783650

IUPACN-cyclopropyl-N-[4-[[[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-methylamino]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCO[C@]1(C)C[C@@H](N(C)Cc2csc(N(C(C)=O)C3CC3)n2)C1(C)C
InChIInChI=1S/C18H29N3O2S/c1-12(22)21(14-7-8-14)16-19-13(11-24-16)10-20(5)15-9-18(4,23-6)17(15,2)3/h11,14-15H,7-10H2,1-6H3/t15-,18-/m1/s1
InChIKeyRCIDCUHHLCUEGA-CRAIPNDOSA-N
MW351.52 g/mol
LogP3.29
Rot. Bonds6

About N-cyclopropyl-N-[4-[[[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-methylamino]methyl]-1,3-thiazol-2-yl]acetamide

N-cyclopropyl-N-[4-[[[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-methylamino]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 95783650) has the molecular formula C18H29N3O2S and a molecular weight of 351.52 g/mol. Its IUPAC name is N-cyclopropyl-N-[4-[[[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-methylamino]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[4-[[[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-methylamino]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID95783650
Molecular FormulaC18H29N3O2S
Molecular Weight351.52 g/mol
Exact Mass351.20
IUPAC NameN-cyclopropyl-N-[4-[[[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-methylamino]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCO[C@]1(C)C[C@@H](N(C)Cc2csc(N(C(C)=O)C3CC3)n2)C1(C)C
InChIInChI=1S/C18H29N3O2S/c1-12(22)21(14-7-8-14)16-19-13(11-24-16)10-20(5)15-9-18(4,23-6)17(15,2)3/h11,14-15H,7-10H2,1-6H3/t15-,18-/m1/s1
InChIKeyRCIDCUHHLCUEGA-CRAIPNDOSA-N
XLogP3.29
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.52
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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5-[[[(1S,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-methylamino]methyl]-2-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
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N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine
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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[4-[[[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-methylamino]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-cyclopropyl-N-[4-[[[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-methylamino]methyl]-1,3-thiazol-2-yl]acetamide (CID 95783650) is N-cyclopropyl-N-[4-[[[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-methylamino]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-N-[4-[[[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-methylamino]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-cyclopropyl-N-[4-[[[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-methylamino]methyl]-1,3-thiazol-2-yl]acetamide is CO[C@]1(C)C[C@@H](N(C)Cc2csc(N(C(C)=O)C3CC3)n2)C1(C)C.
What is the InChIKey of N-cyclopropyl-N-[4-[[[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-methylamino]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is RCIDCUHHLCUEGA-CRAIPNDOSA-N. The full InChI is InChI=1S/C18H29N3O2S/c1-12(22)21(14-7-8-14)16-19-13(11-24-16)10-20(5)15-9-18(4,23-6)17(15,2)3/h11,14-15H,7-10H2,1-6H3/t15-,18-/m1/s1.
What are the key properties of N-cyclopropyl-N-[4-[[[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-methylamino]methyl]-1,3-thiazol-2-yl]acetamide?
N-cyclopropyl-N-[4-[[[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-methylamino]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 351.52 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[4-[[[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-methylamino]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 95783650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).