N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(methylamino)pyrimidine-5-sulfonamide

C12H17N5O2S2 — CID 62158728

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-2-(methylamino)pyrimidine-5-sulfonamide
SMILESCNc1ncc(S(=O)(=O)Nc2nc(C(C)(C)C)cs2)cn1
InChIInChI=1S/C12H17N5O2S2/c1-12(2,3)9-7-20-11(16-9)17-21(18,19)8-5-14-10(13-4)15-6-8/h5-7H,1-4H3,(H,16,17)(H,13,14,15)
InChIKeyDNVRKIYKYYYZTL-UHFFFAOYSA-N
MW327.44 g/mol
LogP2.07
Rot. Bonds4

About N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(methylamino)pyrimidine-5-sulfonamide

N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(methylamino)pyrimidine-5-sulfonamide (PubChem CID 62158728) has the molecular formula C12H17N5O2S2 and a molecular weight of 327.44 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(methylamino)pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-(methylamino)pyrimidine-5-sulfonamide
PubChem CID62158728
Molecular FormulaC12H17N5O2S2
Molecular Weight327.44 g/mol
Exact Mass327.08
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-(methylamino)pyrimidine-5-sulfonamide
SMILESCNc1ncc(S(=O)(=O)Nc2nc(C(C)(C)C)cs2)cn1
InChIInChI=1S/C12H17N5O2S2/c1-12(2,3)9-7-20-11(16-9)17-21(18,19)8-5-14-10(13-4)15-6-8/h5-7H,1-4H3,(H,16,17)(H,13,14,15)
InChIKeyDNVRKIYKYYYZTL-UHFFFAOYSA-N
XLogP2.07
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.44
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(methylamino)pyrimidine-5-sulfonamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(methylamino)pyrimidine-5-sulfonamide (CID 62158728) is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(methylamino)pyrimidine-5-sulfonamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(methylamino)pyrimidine-5-sulfonamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(methylamino)pyrimidine-5-sulfonamide is CNc1ncc(S(=O)(=O)Nc2nc(C(C)(C)C)cs2)cn1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(methylamino)pyrimidine-5-sulfonamide?
The InChIKey is DNVRKIYKYYYZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2S2/c1-12(2,3)9-7-20-11(16-9)17-21(18,19)8-5-14-10(13-4)15-6-8/h5-7H,1-4H3,(H,16,17)(H,13,14,15).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(methylamino)pyrimidine-5-sulfonamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(methylamino)pyrimidine-5-sulfonamide has a molecular weight of 327.44 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(methylamino)pyrimidine-5-sulfonamide is sourced from PubChem (CID 62158728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).