N-[3-(diethylamino)-3-oxopropyl]-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide

C17H23N5O2S — CID 59580049

IUPACN-[3-(diethylamino)-3-oxopropyl]-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
SMILESCCc1nc(-c2ncccn2)sc1C(=O)NCCC(=O)N(CC)CC
InChIInChI=1S/C17H23N5O2S/c1-4-12-14(25-17(21-12)15-18-9-7-10-19-15)16(24)20-11-8-13(23)22(5-2)6-3/h7,9-10H,4-6,8,11H2,1-3H3,(H,20,24)
InChIKeyRJKJYKFUYGXOHU-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.15
Rot. Bonds8

About N-[3-(diethylamino)-3-oxopropyl]-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide

N-[3-(diethylamino)-3-oxopropyl]-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 59580049) has the molecular formula C17H23N5O2S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-[3-(diethylamino)-3-oxopropyl]-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylamino)-3-oxopropyl]-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
PubChem CID59580049
Molecular FormulaC17H23N5O2S
Molecular Weight361.47 g/mol
Exact Mass361.16
IUPAC NameN-[3-(diethylamino)-3-oxopropyl]-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
SMILESCCc1nc(-c2ncccn2)sc1C(=O)NCCC(=O)N(CC)CC
InChIInChI=1S/C17H23N5O2S/c1-4-12-14(25-17(21-12)15-18-9-7-10-19-15)16(24)20-11-8-13(23)22(5-2)6-3/h7,9-10H,4-6,8,11H2,1-3H3,(H,20,24)
InChIKeyRJKJYKFUYGXOHU-UHFFFAOYSA-N
XLogP2.15
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethyl-N-(2-pyridin-4-ylethyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 59579983
4-ethyl-N-[2-(4-methyltriazol-1-yl)ethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 154818152
4-ethyl-N-[2-(2-fluorophenoxy)ethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 154567007
4-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 154570195
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 154570205
4-ethyl-N-[(5-methylpyrazin-2-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 154570009
4-ethyl-N-[(4-methoxyphenyl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 59580001
1-(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)propan-1-one
CID 170389034
4-ethyl-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 59579895
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 154570944
4-ethyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 154819196
2-[[3-(diethylamino)-3-oxopropyl]carbamoyl]pyridine-3-carboxylic acid
CID 63616068

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)-3-oxopropyl]-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[3-(diethylamino)-3-oxopropyl]-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (CID 59580049) is N-[3-(diethylamino)-3-oxopropyl]-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[3-(diethylamino)-3-oxopropyl]-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[3-(diethylamino)-3-oxopropyl]-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is CCc1nc(-c2ncccn2)sc1C(=O)NCCC(=O)N(CC)CC.
What is the InChIKey of N-[3-(diethylamino)-3-oxopropyl]-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is RJKJYKFUYGXOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2S/c1-4-12-14(25-17(21-12)15-18-9-7-10-19-15)16(24)20-11-8-13(23)22(5-2)6-3/h7,9-10H,4-6,8,11H2,1-3H3,(H,20,24).
What are the key properties of N-[3-(diethylamino)-3-oxopropyl]-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
N-[3-(diethylamino)-3-oxopropyl]-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 361.47 g/mol, XLogP of 2.15, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)-3-oxopropyl]-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 59580049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).