2-(ethylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyrimidine-5-sulfonamide

C10H13N5O3S2 — CID 106383322

IUPAC2-(ethylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyrimidine-5-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)NCc2csc(=O)[nH]2)cn1
InChIInChI=1S/C10H13N5O3S2/c1-2-11-9-12-4-8(5-13-9)20(17,18)14-3-7-6-19-10(16)15-7/h4-6,14H,2-3H2,1H3,(H,15,16)(H,11,12,13)
InChIKeyVLIJJRLQLSSURT-UHFFFAOYSA-N
MW315.38 g/mol
LogP0.14
Rot. Bonds6

About 2-(ethylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyrimidine-5-sulfonamide

2-(ethylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyrimidine-5-sulfonamide (PubChem CID 106383322) has the molecular formula C10H13N5O3S2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 2-(ethylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-(ethylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyrimidine-5-sulfonamide
PubChem CID106383322
Molecular FormulaC10H13N5O3S2
Molecular Weight315.38 g/mol
Exact Mass315.05
IUPAC Name2-(ethylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyrimidine-5-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)NCc2csc(=O)[nH]2)cn1
InChIInChI=1S/C10H13N5O3S2/c1-2-11-9-12-4-8(5-13-9)20(17,18)14-3-7-6-19-10(16)15-7/h4-6,14H,2-3H2,1H3,(H,15,16)(H,11,12,13)
InChIKeyVLIJJRLQLSSURT-UHFFFAOYSA-N
XLogP0.14
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-6-(propylamino)pyridine-3-sulfonamide
CID 106383315
4-[[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one
CID 114181858
2-(ethylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide
CID 106383311
4-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106384148
4-amino-N-ethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]benzenesulfonamide
CID 106379435
2-chloro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide
CID 103868103
2-(ethylamino)-N-(2-thiophen-2-ylethyl)pyrimidine-5-sulfonamide
CID 62144877
4-(2-hydroxyethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 106383819
N-(cyclopropylmethyl)-2-(ethylamino)pyrimidine-5-sulfonamide
CID 62150077
N-(2,3-dimethylbutyl)-2-(ethylamino)pyrimidine-5-sulfonamide
CID 64582754
2-(ethylamino)-N-(3-methyl-2-propan-2-ylbutyl)pyrimidine-5-sulfonamide
CID 102907919
3-bromo-4-methoxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 103774906

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyrimidine-5-sulfonamide?
The IUPAC name of 2-(ethylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyrimidine-5-sulfonamide (CID 106383322) is 2-(ethylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-(ethylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyrimidine-5-sulfonamide?
The canonical SMILES for 2-(ethylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyrimidine-5-sulfonamide is CCNc1ncc(S(=O)(=O)NCc2csc(=O)[nH]2)cn1.
What is the InChIKey of 2-(ethylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyrimidine-5-sulfonamide?
The InChIKey is VLIJJRLQLSSURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O3S2/c1-2-11-9-12-4-8(5-13-9)20(17,18)14-3-7-6-19-10(16)15-7/h4-6,14H,2-3H2,1H3,(H,15,16)(H,11,12,13).
What are the key properties of 2-(ethylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyrimidine-5-sulfonamide?
2-(ethylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyrimidine-5-sulfonamide has a molecular weight of 315.38 g/mol, XLogP of 0.14, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyrimidine-5-sulfonamide is sourced from PubChem (CID 106383322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).