[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-[2-(hydroxymethyl)piperidin-1-yl]methanone

C13H22N4O2S — CID 116663088

IUPAC[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-[2-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCC(C)Nc1nc(N)c(C(=O)N2CCCCC2CO)s1
InChIInChI=1S/C13H22N4O2S/c1-8(2)15-13-16-11(14)10(20-13)12(19)17-6-4-3-5-9(17)7-18/h8-9,18H,3-7,14H2,1-2H3,(H,15,16)
InChIKeyPSYFWAQXPPEHBT-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.53
Rot. Bonds4

About [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-[2-(hydroxymethyl)piperidin-1-yl]methanone

[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-[2-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 116663088) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-[2-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-[2-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID116663088
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-[2-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCC(C)Nc1nc(N)c(C(=O)N2CCCCC2CO)s1
InChIInChI=1S/C13H22N4O2S/c1-8(2)15-13-16-11(14)10(20-13)12(19)17-6-4-3-5-9(17)7-18/h8-9,18H,3-7,14H2,1-2H3,(H,15,16)
InChIKeyPSYFWAQXPPEHBT-UHFFFAOYSA-N
XLogP1.53
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(2-ethylazepan-1-yl)methanone
CID 116673045
[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(2-methylpiperidin-1-yl)methanone
CID 116667556
[4-amino-2-(2-methylpropylamino)-1,3-thiazol-5-yl]-(2-ethylpiperidin-1-yl)methanone
CID 116669484
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]methanone
CID 116667217
[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(azepan-1-yl)methanone
CID 116667849
[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103504884
[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 116672270
(2-amino-4-methyl-1,3-thiazol-5-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 94600348
[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 116663232
(4-amino-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-(2-ethylpiperidin-1-yl)methanone
CID 116669483
4-amino-N-(1-cyclopropylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116669993
[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103504889

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-[2-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-[2-(hydroxymethyl)piperidin-1-yl]methanone (CID 116663088) is [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-[2-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-[2-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-[2-(hydroxymethyl)piperidin-1-yl]methanone is CC(C)Nc1nc(N)c(C(=O)N2CCCCC2CO)s1.
What is the InChIKey of [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-[2-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is PSYFWAQXPPEHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-8(2)15-13-16-11(14)10(20-13)12(19)17-6-4-3-5-9(17)7-18/h8-9,18H,3-7,14H2,1-2H3,(H,15,16).
What are the key properties of [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-[2-(hydroxymethyl)piperidin-1-yl]methanone?
[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-[2-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 298.41 g/mol, XLogP of 1.53, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-[2-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 116663088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).