tert-butyl N-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]cyclopentyl]carbamate

C15H25N3O2S — CID 103917457

IUPACtert-butyl N-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]cyclopentyl]carbamate
SMILESCc1ncc(CNC2CCCC2NC(=O)OC(C)(C)C)s1
InChIInChI=1S/C15H25N3O2S/c1-10-16-8-11(21-10)9-17-12-6-5-7-13(12)18-14(19)20-15(2,3)4/h8,12-13,17H,5-7,9H2,1-4H3,(H,18,19)
InChIKeyYUNOYNSZFUCYOV-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.99
Rot. Bonds4

About tert-butyl N-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]cyclopentyl]carbamate

tert-butyl N-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]cyclopentyl]carbamate (PubChem CID 103917457) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is tert-butyl N-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]cyclopentyl]carbamate
PubChem CID103917457
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Nametert-butyl N-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]cyclopentyl]carbamate
SMILESCc1ncc(CNC2CCCC2NC(=O)OC(C)(C)C)s1
InChIInChI=1S/C15H25N3O2S/c1-10-16-8-11(21-10)9-17-12-6-5-7-13(12)18-14(19)20-15(2,3)4/h8,12-13,17H,5-7,9H2,1-4H3,(H,18,19)
InChIKeyYUNOYNSZFUCYOV-UHFFFAOYSA-N
XLogP2.99
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-[(5-methylthiophen-2-yl)methylamino]cyclopentyl]carbamate
CID 103917367
tert-butyl N-[2-[(2-methylpyrimidin-4-yl)methylamino]cyclopentyl]carbamate
CID 104844678
tert-butyl N-[2-[(5-chloro-2-pyridinyl)methylamino]cyclopentyl]carbamate
CID 86794465
tert-butyl N-[2-[(1-methylpyrazol-4-yl)methylamino]cyclopentyl]carbamate
CID 104844685
tert-butyl N-[2-[[5-(hydroxymethyl)furan-2-yl]methylamino]cyclopentyl]carbamate
CID 107243708
tert-butyl N-[(1S,2R)-2-[(2-methylpyrazol-3-yl)methylamino]cyclopentyl]carbamate
CID 99599015
tert-butyl N-[2-[(4-fluorophenyl)methylamino]cyclopentyl]carbamate
CID 103917287
tert-butyl N-[(1R,2R)-2-(pyridin-2-ylmethylamino)cyclohexyl]carbamate
CID 68899041
tert-butyl N-[4-[(2-ethyl-1,3-thiazol-5-yl)methylamino]cyclohexyl]carbamate
CID 103741068
tert-butyl N-[2-[(2-propylpyrazol-3-yl)methylamino]cyclopentyl]carbamate
CID 107243745
tert-butyl N-[(3R,4R)-3-[(5-chloro-1,3-thiazol-2-yl)methylamino]oxan-4-yl]carbamate
CID 167800652
tert-butyl N-[1-[N'-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamimidoyl]pyrrolidin-3-yl]carbamate
CID 111729911

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]cyclopentyl]carbamate (CID 103917457) is tert-butyl N-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]cyclopentyl]carbamate is Cc1ncc(CNC2CCCC2NC(=O)OC(C)(C)C)s1.
What is the InChIKey of tert-butyl N-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]cyclopentyl]carbamate?
The InChIKey is YUNOYNSZFUCYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-10-16-8-11(21-10)9-17-12-6-5-7-13(12)18-14(19)20-15(2,3)4/h8,12-13,17H,5-7,9H2,1-4H3,(H,18,19).
What are the key properties of tert-butyl N-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]cyclopentyl]carbamate?
tert-butyl N-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]cyclopentyl]carbamate has a molecular weight of 311.45 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]cyclopentyl]carbamate is sourced from PubChem (CID 103917457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).