4-amino-2-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-carboxamide

C13H23N5OS — CID 116668742

IUPAC4-amino-2-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESCCN1CCCC1CNC(=O)c1sc(N(C)C)nc1N
InChIInChI=1S/C13H23N5OS/c1-4-18-7-5-6-9(18)8-15-12(19)10-11(14)16-13(20-10)17(2)3/h9H,4-8,14H2,1-3H3,(H,15,19)
InChIKeyIEINYCYLBCDPSI-UHFFFAOYSA-N
MW297.43 g/mol
LogP1.01
Rot. Bonds5

About 4-amino-2-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-carboxamide

4-amino-2-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 116668742) has the molecular formula C13H23N5OS and a molecular weight of 297.43 g/mol. Its IUPAC name is 4-amino-2-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-carboxamide
PubChem CID116668742
Molecular FormulaC13H23N5OS
Molecular Weight297.43 g/mol
Exact Mass297.16
IUPAC Name4-amino-2-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESCCN1CCCC1CNC(=O)c1sc(N(C)C)nc1N
InChIInChI=1S/C13H23N5OS/c1-4-18-7-5-6-9(18)8-15-12(19)10-11(14)16-13(20-10)17(2)3/h9H,4-8,14H2,1-3H3,(H,15,19)
InChIKeyIEINYCYLBCDPSI-UHFFFAOYSA-N
XLogP1.01
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-2-(ethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 116668738
4-amino-2-(dimethylamino)-N-[(4-hydroxycyclohexyl)methyl]-1,3-thiazole-5-carboxamide
CID 106138902
3-amino-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]pyrazine-2-carboxamide
CID 94018036
4-amino-N-(2-cyclopropylethyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116667320
5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80625570
3-amino-4-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide
CID 61089853
4-amino-2-(diethylamino)-N-(thiolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 116671370
4-amino-N-[2-(carbamoylamino)ethyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116672314
4-amino-2-(dimethylamino)-N-(2-thiomorpholin-4-ylethyl)-1,3-thiazole-5-carboxamide
CID 106327698
4-amino-2-[ethyl(methyl)amino]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 116671275
[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 116665413
4-amino-N-[2-(diethylamino)-2-oxoethyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116672594

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-carboxamide (CID 116668742) is 4-amino-2-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-carboxamide is CCN1CCCC1CNC(=O)c1sc(N(C)C)nc1N.
What is the InChIKey of 4-amino-2-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is IEINYCYLBCDPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5OS/c1-4-18-7-5-6-9(18)8-15-12(19)10-11(14)16-13(20-10)17(2)3/h9H,4-8,14H2,1-3H3,(H,15,19).
What are the key properties of 4-amino-2-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-carboxamide?
4-amino-2-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 297.43 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116668742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).