(2R)-N-tert-butyl-2-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propanamide

C15H26N4OS — CID 94796371

IUPAC(2R)-N-tert-butyl-2-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propanamide
SMILESC[C@H](C(=O)NC(C)(C)C)N1CCCN(c2nccs2)CC1
InChIInChI=1S/C15H26N4OS/c1-12(13(20)17-15(2,3)4)18-7-5-8-19(10-9-18)14-16-6-11-21-14/h6,11-12H,5,7-10H2,1-4H3,(H,17,20)/t12-/m1/s1
InChIKeyRWGBCNPNNZQPHN-GFCCVEGCSA-N
MW310.47 g/mol
LogP1.96
Rot. Bonds3

About (2R)-N-tert-butyl-2-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propanamide

(2R)-N-tert-butyl-2-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propanamide (PubChem CID 94796371) has the molecular formula C15H26N4OS and a molecular weight of 310.47 g/mol. Its IUPAC name is (2R)-N-tert-butyl-2-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-tert-butyl-2-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propanamide
PubChem CID94796371
Molecular FormulaC15H26N4OS
Molecular Weight310.47 g/mol
Exact Mass310.18
IUPAC Name(2R)-N-tert-butyl-2-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propanamide
SMILESC[C@H](C(=O)NC(C)(C)C)N1CCCN(c2nccs2)CC1
InChIInChI=1S/C15H26N4OS/c1-12(13(20)17-15(2,3)4)18-7-5-8-19(10-9-18)14-16-6-11-21-14/h6,11-12H,5,7-10H2,1-4H3,(H,17,20)/t12-/m1/s1
InChIKeyRWGBCNPNNZQPHN-GFCCVEGCSA-N
XLogP1.96
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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(2R)-N-(2,4-dimethylphenyl)-2-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propanamide
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2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
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N-(4-ethylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
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(2S)-2-piperidin-1-yl-N-(1,3-thiazol-2-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of (2R)-N-tert-butyl-2-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propanamide?
The IUPAC name of (2R)-N-tert-butyl-2-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propanamide (CID 94796371) is (2R)-N-tert-butyl-2-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propanamide.
What is the SMILES notation for (2R)-N-tert-butyl-2-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propanamide?
The canonical SMILES for (2R)-N-tert-butyl-2-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propanamide is C[C@H](C(=O)NC(C)(C)C)N1CCCN(c2nccs2)CC1.
What is the InChIKey of (2R)-N-tert-butyl-2-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propanamide?
The InChIKey is RWGBCNPNNZQPHN-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H26N4OS/c1-12(13(20)17-15(2,3)4)18-7-5-8-19(10-9-18)14-16-6-11-21-14/h6,11-12H,5,7-10H2,1-4H3,(H,17,20)/t12-/m1/s1.
What are the key properties of (2R)-N-tert-butyl-2-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propanamide?
(2R)-N-tert-butyl-2-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propanamide has a molecular weight of 310.47 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-tert-butyl-2-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propanamide is sourced from PubChem (CID 94796371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).