[3-(tert-butylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]carbamic acid

C16H25N5O4S — CID 69481859

IUPAC[3-(tert-butylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]carbamic acid
SMILESCN1CCc2nc(C(=O)NC(CNC(=O)O)C(=O)NC(C)(C)C)sc2C1
InChIInChI=1S/C16H25N5O4S/c1-16(2,3)20-12(22)10(7-17-15(24)25)18-13(23)14-19-9-5-6-21(4)8-11(9)26-14/h10,17H,5-8H2,1-4H3,(H,18,23)(H,20,22)(H,24,25)
InChIKeyKDNYXGFATNVQCG-UHFFFAOYSA-N
MW383.47 g/mol
LogP0.41
Rot. Bonds5

About [3-(tert-butylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]carbamic acid

[3-(tert-butylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]carbamic acid (PubChem CID 69481859) has the molecular formula C16H25N5O4S and a molecular weight of 383.47 g/mol. Its IUPAC name is [3-(tert-butylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]carbamic acid.

Molecular Properties

Compound Name[3-(tert-butylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]carbamic acid
PubChem CID69481859
Molecular FormulaC16H25N5O4S
Molecular Weight383.47 g/mol
Exact Mass383.16
IUPAC Name[3-(tert-butylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]carbamic acid
SMILESCN1CCc2nc(C(=O)NC(CNC(=O)O)C(=O)NC(C)(C)C)sc2C1
InChIInChI=1S/C16H25N5O4S/c1-16(2,3)20-12(22)10(7-17-15(24)25)18-13(23)14-19-9-5-6-21(4)8-11(9)26-14/h10,17H,5-8H2,1-4H3,(H,18,23)(H,20,22)(H,24,25)
InChIKeyKDNYXGFATNVQCG-UHFFFAOYSA-N
XLogP0.41
TPSA123.66 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 50.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(tert-butylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]carbamic acid?
The IUPAC name of [3-(tert-butylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]carbamic acid (CID 69481859) is [3-(tert-butylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]carbamic acid.
What is the SMILES notation for [3-(tert-butylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]carbamic acid?
The canonical SMILES for [3-(tert-butylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]carbamic acid is CN1CCc2nc(C(=O)NC(CNC(=O)O)C(=O)NC(C)(C)C)sc2C1.
What is the InChIKey of [3-(tert-butylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]carbamic acid?
The InChIKey is KDNYXGFATNVQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O4S/c1-16(2,3)20-12(22)10(7-17-15(24)25)18-13(23)14-19-9-5-6-21(4)8-11(9)26-14/h10,17H,5-8H2,1-4H3,(H,18,23)(H,20,22)(H,24,25).
What are the key properties of [3-(tert-butylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]carbamic acid?
[3-(tert-butylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]carbamic acid has a molecular weight of 383.47 g/mol, XLogP of 0.41, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(tert-butylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]carbamic acid is sourced from PubChem (CID 69481859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).