N-[2-[di(propan-2-yl)amino]ethyl]-2-(ethylamino)-1,3-thiazole-5-carboxamide

C14H26N4OS — CID 117081754

IUPACN-[2-[di(propan-2-yl)amino]ethyl]-2-(ethylamino)-1,3-thiazole-5-carboxamide
SMILESCCNc1ncc(C(=O)NCCN(C(C)C)C(C)C)s1
InChIInChI=1S/C14H26N4OS/c1-6-15-14-17-9-12(20-14)13(19)16-7-8-18(10(2)3)11(4)5/h9-11H,6-8H2,1-5H3,(H,15,17)(H,16,19)
InChIKeyBZIGBIFWMQPNKG-UHFFFAOYSA-N
MW298.46 g/mol
LogP2.42
Rot. Bonds8

About N-[2-[di(propan-2-yl)amino]ethyl]-2-(ethylamino)-1,3-thiazole-5-carboxamide

N-[2-[di(propan-2-yl)amino]ethyl]-2-(ethylamino)-1,3-thiazole-5-carboxamide (PubChem CID 117081754) has the molecular formula C14H26N4OS and a molecular weight of 298.46 g/mol. Its IUPAC name is N-[2-[di(propan-2-yl)amino]ethyl]-2-(ethylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[di(propan-2-yl)amino]ethyl]-2-(ethylamino)-1,3-thiazole-5-carboxamide
PubChem CID117081754
Molecular FormulaC14H26N4OS
Molecular Weight298.46 g/mol
Exact Mass298.18
IUPAC NameN-[2-[di(propan-2-yl)amino]ethyl]-2-(ethylamino)-1,3-thiazole-5-carboxamide
SMILESCCNc1ncc(C(=O)NCCN(C(C)C)C(C)C)s1
InChIInChI=1S/C14H26N4OS/c1-6-15-14-17-9-12(20-14)13(19)16-7-8-18(10(2)3)11(4)5/h9-11H,6-8H2,1-5H3,(H,15,17)(H,16,19)
InChIKeyBZIGBIFWMQPNKG-UHFFFAOYSA-N
XLogP2.42
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.46
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-acetylpiperazin-1-yl)-N-hydroxy-1,3-thiazole-5-carboxamide
CID 11558091
2-(4-Methyl-piperazin-1-yl)-thiazole-5-carboxylic acid hydroxyamide
CID 11572286
2-(Methylamino)thiazole-5-carboxamide
CID 56609316
2-amino-N-methyl-1,3-thiazole-5-carboxamide
CID 59600355
N-(5-(piperazin-1-ylmethyl)thiazol-2-yl)acetamide
CID 60175141
2-(ethylamino)-N-(5-methyl-6-oxo-1H-pyridin-3-yl)-1,3-thiazole-5-carboxamide
CID 75390612
2-(ethylamino)-N-(1-methoxy-4-methylpentan-3-yl)-1,3-thiazole-5-carboxamide
CID 75430485
N-[2-(cyclopropylmethylsulfanyl)ethyl]-2-(ethylamino)-1,3-thiazole-5-carboxamide
CID 75496100
2-(ethylamino)-N-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 84590724
[2-(Ethylamino)-1,3-thiazol-5-yl]-(1,2-oxazolidin-2-yl)methanone
CID 86797132
2-(ethylamino)-N-[(3S)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1,3-thiazole-5-carboxamide
CID 96525682
[2-(Ethylamino)-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
CID 97236851

Frequently Asked Questions

What is the IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-2-(ethylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-2-(ethylamino)-1,3-thiazole-5-carboxamide (CID 117081754) is N-[2-[di(propan-2-yl)amino]ethyl]-2-(ethylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-[di(propan-2-yl)amino]ethyl]-2-(ethylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-[di(propan-2-yl)amino]ethyl]-2-(ethylamino)-1,3-thiazole-5-carboxamide is CCNc1ncc(C(=O)NCCN(C(C)C)C(C)C)s1.
What is the InChIKey of N-[2-[di(propan-2-yl)amino]ethyl]-2-(ethylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is BZIGBIFWMQPNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4OS/c1-6-15-14-17-9-12(20-14)13(19)16-7-8-18(10(2)3)11(4)5/h9-11H,6-8H2,1-5H3,(H,15,17)(H,16,19).
What are the key properties of N-[2-[di(propan-2-yl)amino]ethyl]-2-(ethylamino)-1,3-thiazole-5-carboxamide?
N-[2-[di(propan-2-yl)amino]ethyl]-2-(ethylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 298.46 g/mol, XLogP of 2.42, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[di(propan-2-yl)amino]ethyl]-2-(ethylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 117081754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).