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

C14H27N5OS — CID 116665037

IUPAC4-amino-N-[2-(dimethylamino)ethyl]-2-[ethyl(methyl)amino]-N-propyl-1,3-thiazole-5-carboxamide
SMILESCCCN(CCN(C)C)C(=O)c1sc(N(C)CC)nc1N
InChIInChI=1S/C14H27N5OS/c1-6-8-19(10-9-17(3)4)13(20)11-12(15)16-14(21-11)18(5)7-2/h6-10,15H2,1-5H3
InChIKeyUMSUMDYBFBCLSC-UHFFFAOYSA-N
MW313.47 g/mol
LogP1.60
Rot. Bonds8

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

4-amino-N-[2-(dimethylamino)ethyl]-2-[ethyl(methyl)amino]-N-propyl-1,3-thiazole-5-carboxamide (PubChem CID 116665037) has the molecular formula C14H27N5OS and a molecular weight of 313.47 g/mol. Its IUPAC name is 4-amino-N-[2-(dimethylamino)ethyl]-2-[ethyl(methyl)amino]-N-propyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(dimethylamino)ethyl]-2-[ethyl(methyl)amino]-N-propyl-1,3-thiazole-5-carboxamide
PubChem CID116665037
Molecular FormulaC14H27N5OS
Molecular Weight313.47 g/mol
Exact Mass313.19
IUPAC Name4-amino-N-[2-(dimethylamino)ethyl]-2-[ethyl(methyl)amino]-N-propyl-1,3-thiazole-5-carboxamide
SMILESCCCN(CCN(C)C)C(=O)c1sc(N(C)CC)nc1N
InChIInChI=1S/C14H27N5OS/c1-6-8-19(10-9-17(3)4)13(20)11-12(15)16-14(21-11)18(5)7-2/h6-10,15H2,1-5H3
InChIKeyUMSUMDYBFBCLSC-UHFFFAOYSA-N
XLogP1.60
TPSA65.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(dimethylamino)ethyl]-2-[ethyl(methyl)amino]-N-propyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-[2-(dimethylamino)ethyl]-2-[ethyl(methyl)amino]-N-propyl-1,3-thiazole-5-carboxamide (CID 116665037) is 4-amino-N-[2-(dimethylamino)ethyl]-2-[ethyl(methyl)amino]-N-propyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(dimethylamino)ethyl]-2-[ethyl(methyl)amino]-N-propyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[2-(dimethylamino)ethyl]-2-[ethyl(methyl)amino]-N-propyl-1,3-thiazole-5-carboxamide is CCCN(CCN(C)C)C(=O)c1sc(N(C)CC)nc1N.
What is the InChIKey of 4-amino-N-[2-(dimethylamino)ethyl]-2-[ethyl(methyl)amino]-N-propyl-1,3-thiazole-5-carboxamide?
The InChIKey is UMSUMDYBFBCLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5OS/c1-6-8-19(10-9-17(3)4)13(20)11-12(15)16-14(21-11)18(5)7-2/h6-10,15H2,1-5H3.
What are the key properties of 4-amino-N-[2-(dimethylamino)ethyl]-2-[ethyl(methyl)amino]-N-propyl-1,3-thiazole-5-carboxamide?
4-amino-N-[2-(dimethylamino)ethyl]-2-[ethyl(methyl)amino]-N-propyl-1,3-thiazole-5-carboxamide has a molecular weight of 313.47 g/mol, XLogP of 1.60, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(dimethylamino)ethyl]-2-[ethyl(methyl)amino]-N-propyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116665037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).