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

C17H25N5O4S — CID 69483157

IUPAC[3-(cyclopentylamino)-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)NC3CCCC3)sc2C1
InChIInChI=1S/C17H25N5O4S/c1-22-7-6-11-13(9-22)27-16(21-11)15(24)20-12(8-18-17(25)26)14(23)19-10-4-2-3-5-10/h10,12,18H,2-9H2,1H3,(H,19,23)(H,20,24)(H,25,26)
InChIKeyMPKNIWJTKTUSGZ-UHFFFAOYSA-N
MW395.49 g/mol
LogP0.56
Rot. Bonds6

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

[3-(cyclopentylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]carbamic acid (PubChem CID 69483157) has the molecular formula C17H25N5O4S and a molecular weight of 395.49 g/mol. Its IUPAC name is [3-(cyclopentylamino)-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-(cyclopentylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]carbamic acid
PubChem CID69483157
Molecular FormulaC17H25N5O4S
Molecular Weight395.49 g/mol
Exact Mass395.16
IUPAC Name[3-(cyclopentylamino)-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)NC3CCCC3)sc2C1
InChIInChI=1S/C17H25N5O4S/c1-22-7-6-11-13(9-22)27-16(21-11)15(24)20-12(8-18-17(25)26)14(23)19-10-4-2-3-5-10/h10,12,18H,2-9H2,1H3,(H,19,23)(H,20,24)(H,25,26)
InChIKeyMPKNIWJTKTUSGZ-UHFFFAOYSA-N
XLogP0.56
TPSA123.66 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.49
LogP ≤ 50.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(cyclopentylamino)-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-(cyclopentylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]carbamic acid (CID 69483157) is [3-(cyclopentylamino)-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-(cyclopentylamino)-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-(cyclopentylamino)-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)NC3CCCC3)sc2C1.
What is the InChIKey of [3-(cyclopentylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]carbamic acid?
The InChIKey is MPKNIWJTKTUSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O4S/c1-22-7-6-11-13(9-22)27-16(21-11)15(24)20-12(8-18-17(25)26)14(23)19-10-4-2-3-5-10/h10,12,18H,2-9H2,1H3,(H,19,23)(H,20,24)(H,25,26).
What are the key properties of [3-(cyclopentylamino)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]carbamic acid?
[3-(cyclopentylamino)-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 395.49 g/mol, XLogP of 0.56, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclopentylamino)-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 69483157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).