[4-amino-2-(cyclopropylamino)-1,3-thiazol-5-yl]-(3-propan-2-ylpyrrolidin-1-yl)methanone

C14H22N4OS — CID 116672564

IUPAC[4-amino-2-(cyclopropylamino)-1,3-thiazol-5-yl]-(3-propan-2-ylpyrrolidin-1-yl)methanone
SMILESCC(C)C1CCN(C(=O)c2sc(NC3CC3)nc2N)C1
InChIInChI=1S/C14H22N4OS/c1-8(2)9-5-6-18(7-9)13(19)11-12(15)17-14(20-11)16-10-3-4-10/h8-10H,3-7,15H2,1-2H3,(H,16,17)
InChIKeyMKFWDULASKZGFO-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.42
Rot. Bonds4

About [4-amino-2-(cyclopropylamino)-1,3-thiazol-5-yl]-(3-propan-2-ylpyrrolidin-1-yl)methanone

[4-amino-2-(cyclopropylamino)-1,3-thiazol-5-yl]-(3-propan-2-ylpyrrolidin-1-yl)methanone (PubChem CID 116672564) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is [4-amino-2-(cyclopropylamino)-1,3-thiazol-5-yl]-(3-propan-2-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[4-amino-2-(cyclopropylamino)-1,3-thiazol-5-yl]-(3-propan-2-ylpyrrolidin-1-yl)methanone
PubChem CID116672564
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC Name[4-amino-2-(cyclopropylamino)-1,3-thiazol-5-yl]-(3-propan-2-ylpyrrolidin-1-yl)methanone
SMILESCC(C)C1CCN(C(=O)c2sc(NC3CC3)nc2N)C1
InChIInChI=1S/C14H22N4OS/c1-8(2)9-5-6-18(7-9)13(19)11-12(15)17-14(20-11)16-10-3-4-10/h8-10H,3-7,15H2,1-2H3,(H,16,17)
InChIKeyMKFWDULASKZGFO-UHFFFAOYSA-N
XLogP2.42
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[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
[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103504889
[4-amino-2-(cyclobutylamino)-1,3-thiazol-5-yl]-(3-ethylpyrrolidin-1-yl)methanone
CID 116672448
[4-amino-2-(cyclopropylamino)-1,3-thiazol-5-yl]-(1,4-thiazepan-4-yl)methanone
CID 116663176
[4-amino-2-(cyclobutylamino)-1,3-thiazol-5-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 116670425
[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 116667814
[3-(aminomethyl)pyrrolidin-1-yl]-[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]methanone
CID 116665159
[4-amino-2-(cyclopropylamino)-1,3-thiazol-5-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114598037
[4-amino-2-(cyclopropylamino)-1,3-thiazol-5-yl]-(2,4-dimethylpiperidin-1-yl)methanone
CID 116665334
[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 116671004
4-amino-2-(cyclopropylamino)-N-octan-2-yl-1,3-thiazole-5-carboxamide
CID 116663846

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(cyclopropylamino)-1,3-thiazol-5-yl]-(3-propan-2-ylpyrrolidin-1-yl)methanone?
The IUPAC name of [4-amino-2-(cyclopropylamino)-1,3-thiazol-5-yl]-(3-propan-2-ylpyrrolidin-1-yl)methanone (CID 116672564) is [4-amino-2-(cyclopropylamino)-1,3-thiazol-5-yl]-(3-propan-2-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [4-amino-2-(cyclopropylamino)-1,3-thiazol-5-yl]-(3-propan-2-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for [4-amino-2-(cyclopropylamino)-1,3-thiazol-5-yl]-(3-propan-2-ylpyrrolidin-1-yl)methanone is CC(C)C1CCN(C(=O)c2sc(NC3CC3)nc2N)C1.
What is the InChIKey of [4-amino-2-(cyclopropylamino)-1,3-thiazol-5-yl]-(3-propan-2-ylpyrrolidin-1-yl)methanone?
The InChIKey is MKFWDULASKZGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS/c1-8(2)9-5-6-18(7-9)13(19)11-12(15)17-14(20-11)16-10-3-4-10/h8-10H,3-7,15H2,1-2H3,(H,16,17).
What are the key properties of [4-amino-2-(cyclopropylamino)-1,3-thiazol-5-yl]-(3-propan-2-ylpyrrolidin-1-yl)methanone?
[4-amino-2-(cyclopropylamino)-1,3-thiazol-5-yl]-(3-propan-2-ylpyrrolidin-1-yl)methanone has a molecular weight of 294.42 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(cyclopropylamino)-1,3-thiazol-5-yl]-(3-propan-2-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 116672564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).