tert-butyl N-[(2R)-2-cyclopropyl-2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]propyl]carbamate

C16H25N3O3S — CID 95329318

IUPACtert-butyl N-[(2R)-2-cyclopropyl-2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]propyl]carbamate
SMILESCc1ncc(C(=O)N[C@@](C)(CNC(=O)OC(C)(C)C)C2CC2)s1
InChIInChI=1S/C16H25N3O3S/c1-10-17-8-12(23-10)13(20)19-16(5,11-6-7-11)9-18-14(21)22-15(2,3)4/h8,11H,6-7,9H2,1-5H3,(H,18,21)(H,19,20)/t16-/m0/s1
InChIKeyIDJDXBXURMSRBE-INIZCTEOSA-N
MW339.46 g/mol
LogP2.87
Rot. Bonds5

About tert-butyl N-[(2R)-2-cyclopropyl-2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]propyl]carbamate

tert-butyl N-[(2R)-2-cyclopropyl-2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]propyl]carbamate (PubChem CID 95329318) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is tert-butyl N-[(2R)-2-cyclopropyl-2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-2-cyclopropyl-2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]propyl]carbamate
PubChem CID95329318
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Nametert-butyl N-[(2R)-2-cyclopropyl-2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]propyl]carbamate
SMILESCc1ncc(C(=O)N[C@@](C)(CNC(=O)OC(C)(C)C)C2CC2)s1
InChIInChI=1S/C16H25N3O3S/c1-10-17-8-12(23-10)13(20)19-16(5,11-6-7-11)9-18-14(21)22-15(2,3)4/h8,11H,6-7,9H2,1-5H3,(H,18,21)(H,19,20)/t16-/m0/s1
InChIKeyIDJDXBXURMSRBE-INIZCTEOSA-N
XLogP2.87
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[(2R)-2-cyclopropyl-2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]propyl]carbamate with MolForge

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Related Compounds

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CID 95306802
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tert-butyl N-[2-cyclopropyl-2-[(5-methyl-2-pyridinyl)methylamino]propyl]carbamate
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tert-butyl N-[(2S)-2-cyclopropyl-2-[(1-methylpyrazol-4-yl)methylamino]propyl]carbamate
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tert-butyl N-[2-cyclopropyl-2-[[2-oxo-2-(pyrazin-2-ylamino)ethyl]amino]propyl]carbamate
CID 154762882
N-(2-amino-2-cyclopropylethyl)-2-methyl-1,3-thiazole-5-carboxamide
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N-(1-amino-2-cyclopropylpropan-2-yl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride
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tert-butyl N-[(2S)-2-cyclopropyl-2-[(4-methoxyphenyl)carbamoylamino]propyl]carbamate
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tert-butyl N-[2-cyclopropyl-2-(1H-imidazol-5-ylmethylamino)propyl]carbamate
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tert-butyl N-[2-cyclopropyl-2-(3,3-dimethylbutylamino)propyl]carbamate
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tert-butyl N-[2-cyclopropyl-2-(pyrimidin-4-ylmethylamino)propyl]carbamate
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tert-butyl N-[2-(butylamino)-2-cyclopropylpropyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-2-cyclopropyl-2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]propyl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-2-cyclopropyl-2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]propyl]carbamate (CID 95329318) is tert-butyl N-[(2R)-2-cyclopropyl-2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-2-cyclopropyl-2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-2-cyclopropyl-2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]propyl]carbamate is Cc1ncc(C(=O)N[C@@](C)(CNC(=O)OC(C)(C)C)C2CC2)s1.
What is the InChIKey of tert-butyl N-[(2R)-2-cyclopropyl-2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]propyl]carbamate?
The InChIKey is IDJDXBXURMSRBE-INIZCTEOSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-10-17-8-12(23-10)13(20)19-16(5,11-6-7-11)9-18-14(21)22-15(2,3)4/h8,11H,6-7,9H2,1-5H3,(H,18,21)(H,19,20)/t16-/m0/s1.
What are the key properties of tert-butyl N-[(2R)-2-cyclopropyl-2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]propyl]carbamate?
tert-butyl N-[(2R)-2-cyclopropyl-2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]propyl]carbamate has a molecular weight of 339.46 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-2-cyclopropyl-2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]propyl]carbamate is sourced from PubChem (CID 95329318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).