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

C11H18N4OS — CID 63167266

IUPAC(2-amino-4-methyl-1,3-thiazol-5-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
SMILESCc1nc(N)sc1C(=O)N1CCC(N(C)C)C1
InChIInChI=1S/C11H18N4OS/c1-7-9(17-11(12)13-7)10(16)15-5-4-8(6-15)14(2)3/h8H,4-6H2,1-3H3,(H2,12,13)
InChIKeySBZRMWKXRFPAFN-UHFFFAOYSA-N
MW254.36 g/mol
LogP0.81
Rot. Bonds2

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

(2-amino-4-methyl-1,3-thiazol-5-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone (PubChem CID 63167266) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is (2-amino-4-methyl-1,3-thiazol-5-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-amino-4-methyl-1,3-thiazol-5-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
PubChem CID63167266
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name(2-amino-4-methyl-1,3-thiazol-5-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
SMILESCc1nc(N)sc1C(=O)N1CCC(N(C)C)C1
InChIInChI=1S/C11H18N4OS/c1-7-9(17-11(12)13-7)10(16)15-5-4-8(6-15)14(2)3/h8H,4-6H2,1-3H3,(H2,12,13)
InChIKeySBZRMWKXRFPAFN-UHFFFAOYSA-N
XLogP0.81
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-amino-4-methyl-1,3-thiazol-5-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 94896080
(2-amino-4-methyl-1,3-thiazol-5-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 62793622
(2-amino-4-methyl-1,3-thiazol-5-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114678315
4-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-N,N-dimethylpiperazine-1-carboxamide
CID 62792932
(2-amino-4-methyl-1,3-thiazol-5-yl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 104872448
1-[4-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone
CID 62792562
(5-amino-1,3,4-thiadiazol-2-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 80616823
1-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-N-methylpiperidine-4-carboxamide
CID 62793582
(2-amino-4-methyl-1,3-thiazol-5-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63979394
(2-amino-4-methyl-1,3-thiazol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 62792174
(2-amino-1,3-thiazol-4-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 63167267
(2-amino-4-methyl-1,3-thiazol-5-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114408882

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-methyl-1,3-thiazol-5-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone?
The IUPAC name of (2-amino-4-methyl-1,3-thiazol-5-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone (CID 63167266) is (2-amino-4-methyl-1,3-thiazol-5-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-amino-4-methyl-1,3-thiazol-5-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-amino-4-methyl-1,3-thiazol-5-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone is Cc1nc(N)sc1C(=O)N1CCC(N(C)C)C1.
What is the InChIKey of (2-amino-4-methyl-1,3-thiazol-5-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone?
The InChIKey is SBZRMWKXRFPAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-7-9(17-11(12)13-7)10(16)15-5-4-8(6-15)14(2)3/h8H,4-6H2,1-3H3,(H2,12,13).
What are the key properties of (2-amino-4-methyl-1,3-thiazol-5-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone?
(2-amino-4-methyl-1,3-thiazol-5-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone has a molecular weight of 254.36 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-methyl-1,3-thiazol-5-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 63167266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).