[4-amino-2-(2-methylpropylamino)-1,3-thiazol-5-yl]-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone

C14H24N4O2S — CID 102790033

IUPAC[4-amino-2-(2-methylpropylamino)-1,3-thiazol-5-yl]-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
SMILESCC(C)CNc1nc(N)c(C(=O)N2CCC(C)C2CO)s1
InChIInChI=1S/C14H24N4O2S/c1-8(2)6-16-14-17-12(15)11(21-14)13(20)18-5-4-9(3)10(18)7-19/h8-10,19H,4-7,15H2,1-3H3,(H,16,17)
InChIKeyHYWUTQRHJAZULM-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.64
Rot. Bonds5

About [4-amino-2-(2-methylpropylamino)-1,3-thiazol-5-yl]-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone

[4-amino-2-(2-methylpropylamino)-1,3-thiazol-5-yl]-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone (PubChem CID 102790033) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is [4-amino-2-(2-methylpropylamino)-1,3-thiazol-5-yl]-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[4-amino-2-(2-methylpropylamino)-1,3-thiazol-5-yl]-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
PubChem CID102790033
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name[4-amino-2-(2-methylpropylamino)-1,3-thiazol-5-yl]-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
SMILESCC(C)CNc1nc(N)c(C(=O)N2CCC(C)C2CO)s1
InChIInChI=1S/C14H24N4O2S/c1-8(2)6-16-14-17-12(15)11(21-14)13(20)18-5-4-9(3)10(18)7-19/h8-10,19H,4-7,15H2,1-3H3,(H,16,17)
InChIKeyHYWUTQRHJAZULM-UHFFFAOYSA-N
XLogP1.64
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(2-methylpropylamino)-1,3-thiazol-5-yl]-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone?
The IUPAC name of [4-amino-2-(2-methylpropylamino)-1,3-thiazol-5-yl]-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone (CID 102790033) is [4-amino-2-(2-methylpropylamino)-1,3-thiazol-5-yl]-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone.
What is the SMILES notation for [4-amino-2-(2-methylpropylamino)-1,3-thiazol-5-yl]-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone?
The canonical SMILES for [4-amino-2-(2-methylpropylamino)-1,3-thiazol-5-yl]-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone is CC(C)CNc1nc(N)c(C(=O)N2CCC(C)C2CO)s1.
What is the InChIKey of [4-amino-2-(2-methylpropylamino)-1,3-thiazol-5-yl]-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone?
The InChIKey is HYWUTQRHJAZULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-8(2)6-16-14-17-12(15)11(21-14)13(20)18-5-4-9(3)10(18)7-19/h8-10,19H,4-7,15H2,1-3H3,(H,16,17).
What are the key properties of [4-amino-2-(2-methylpropylamino)-1,3-thiazol-5-yl]-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone?
[4-amino-2-(2-methylpropylamino)-1,3-thiazol-5-yl]-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone has a molecular weight of 312.44 g/mol, XLogP of 1.64, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(2-methylpropylamino)-1,3-thiazol-5-yl]-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 102790033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).