2-tert-butyl-4-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide

C15H21N5OS — CID 49028095

IUPAC2-tert-butyl-4-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(C)(C)C)sc1C(=O)NCCNc1ncccn1
InChIInChI=1S/C15H21N5OS/c1-10-11(22-13(20-10)15(2,3)4)12(21)16-8-9-19-14-17-6-5-7-18-14/h5-7H,8-9H2,1-4H3,(H,16,21)(H,17,18,19)
InChIKeyBDTKORWKHSWEPG-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.38
Rot. Bonds5

About 2-tert-butyl-4-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide

2-tert-butyl-4-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 49028095) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is 2-tert-butyl-4-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-4-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
PubChem CID49028095
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC Name2-tert-butyl-4-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(C)(C)C)sc1C(=O)NCCNc1ncccn1
InChIInChI=1S/C15H21N5OS/c1-10-11(22-13(20-10)15(2,3)4)12(21)16-8-9-19-14-17-6-5-7-18-14/h5-7H,8-9H2,1-4H3,(H,16,21)(H,17,18,19)
InChIKeyBDTKORWKHSWEPG-UHFFFAOYSA-N
XLogP2.38
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 47284373
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CID 47886341
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CID 48983117
CID 48983117
CID 49385088
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CID 49385475
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CID 51081167
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CID 53501016
CID 53501016

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-tert-butyl-4-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide (CID 49028095) is 2-tert-butyl-4-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-tert-butyl-4-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-tert-butyl-4-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide is Cc1nc(C(C)(C)C)sc1C(=O)NCCNc1ncccn1.
What is the InChIKey of 2-tert-butyl-4-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is BDTKORWKHSWEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5OS/c1-10-11(22-13(20-10)15(2,3)4)12(21)16-8-9-19-14-17-6-5-7-18-14/h5-7H,8-9H2,1-4H3,(H,16,21)(H,17,18,19).
What are the key properties of 2-tert-butyl-4-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide?
2-tert-butyl-4-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 319.43 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 49028095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).