[1-[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]pyrrolidin-3-yl]methanol

C12H16N4OS2 — CID 103383882

IUPAC[1-[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]pyrrolidin-3-yl]methanol
SMILESCc1nc(-c2c(N)nsc2N2CCC(CO)C2)cs1
InChIInChI=1S/C12H16N4OS2/c1-7-14-9(6-18-7)10-11(13)15-19-12(10)16-3-2-8(4-16)5-17/h6,8,17H,2-5H2,1H3,(H2,13,15)
InChIKeyPFXAKAFSTOPSJS-UHFFFAOYSA-N
MW296.42 g/mol
LogP1.98
Rot. Bonds3

About [1-[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]pyrrolidin-3-yl]methanol

[1-[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]pyrrolidin-3-yl]methanol (PubChem CID 103383882) has the molecular formula C12H16N4OS2 and a molecular weight of 296.42 g/mol. Its IUPAC name is [1-[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]pyrrolidin-3-yl]methanol
PubChem CID103383882
Molecular FormulaC12H16N4OS2
Molecular Weight296.42 g/mol
Exact Mass296.08
IUPAC Name[1-[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]pyrrolidin-3-yl]methanol
SMILESCc1nc(-c2c(N)nsc2N2CCC(CO)C2)cs1
InChIInChI=1S/C12H16N4OS2/c1-7-14-9(6-18-7)10-11(13)15-19-12(10)16-3-2-8(4-16)5-17/h6,8,17H,2-5H2,1H3,(H2,13,15)
InChIKeyPFXAKAFSTOPSJS-UHFFFAOYSA-N
XLogP1.98
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-(2-methyl-1,3-thiazol-4-yl)-5-(4-propan-2-ylpiperidin-1-yl)-1,2-thiazol-3-amine
CID 103505421
5-(3-methoxypiperidin-1-yl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-3-amine
CID 103384750
5-(2-ethylthiomorpholin-4-yl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-3-amine
CID 103384426
1-[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]piperidine-3-carboxamide
CID 103381037
[4-[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]-6-methylmorpholin-2-yl]methanol
CID 103384839
4-(2-methyl-1,3-thiazol-4-yl)-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,2-thiazol-3-amine
CID 103378152
[1-(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)piperidin-3-yl]methanol
CID 103361985
4-[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]-1-methyl-1,4-diazepan-2-one
CID 103384690
[1-(3-amino-4-methyl-1,2-thiazol-5-yl)piperidin-3-yl]methanol
CID 103361986
5-(3-ethylpyrrolidin-1-yl)-4-phenyl-1,2-thiazol-3-amine
CID 103384010
1-[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]pyrrolidin-3-ol
CID 103349385
4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine
CID 103382767

Frequently Asked Questions

What is the IUPAC name of [1-[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]pyrrolidin-3-yl]methanol (CID 103383882) is [1-[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]pyrrolidin-3-yl]methanol is Cc1nc(-c2c(N)nsc2N2CCC(CO)C2)cs1.
What is the InChIKey of [1-[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]pyrrolidin-3-yl]methanol?
The InChIKey is PFXAKAFSTOPSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS2/c1-7-14-9(6-18-7)10-11(13)15-19-12(10)16-3-2-8(4-16)5-17/h6,8,17H,2-5H2,1H3,(H2,13,15).
What are the key properties of [1-[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]pyrrolidin-3-yl]methanol?
[1-[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]pyrrolidin-3-yl]methanol has a molecular weight of 296.42 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 103383882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).