2-N-(3-ethylpentan-2-yl)-1,3-thiazole-2,5-diamine

C10H19N3S — CID 102768492

IUPAC2-N-(3-ethylpentan-2-yl)-1,3-thiazole-2,5-diamine
SMILESCCC(CC)C(C)Nc1ncc(N)s1
InChIInChI=1S/C10H19N3S/c1-4-8(5-2)7(3)13-10-12-6-9(11)14-10/h6-8H,4-5,11H2,1-3H3,(H,12,13)
InChIKeyPUGSHHXDVZUQNA-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.96
Rot. Bonds5

About 2-N-(3-ethylpentan-2-yl)-1,3-thiazole-2,5-diamine

2-N-(3-ethylpentan-2-yl)-1,3-thiazole-2,5-diamine (PubChem CID 102768492) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is 2-N-(3-ethylpentan-2-yl)-1,3-thiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-(3-ethylpentan-2-yl)-1,3-thiazole-2,5-diamine
PubChem CID102768492
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC Name2-N-(3-ethylpentan-2-yl)-1,3-thiazole-2,5-diamine
SMILESCCC(CC)C(C)Nc1ncc(N)s1
InChIInChI=1S/C10H19N3S/c1-4-8(5-2)7(3)13-10-12-6-9(11)14-10/h6-8H,4-5,11H2,1-3H3,(H,12,13)
InChIKeyPUGSHHXDVZUQNA-UHFFFAOYSA-N
XLogP2.96
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-amino-1,3-thiazol-2-yl)amino]propan-1-ol
CID 102767605
2-N-(1-ethoxypropan-2-yl)-1,3-thiazole-2,5-diamine
CID 102768135
2-N-(1-ethylsulfanylpropan-2-yl)-1,3-thiazole-2,5-diamine
CID 102769066
2-N-(1-methoxybutan-2-yl)-1,3-thiazole-2,5-diamine
CID 102768548
2-[(5-amino-1,3-thiazol-2-yl)amino]-3-methylbutanamide
CID 106344040
2-N-(1-cyclopropylbutan-2-yl)-1,3-thiazole-2,5-diamine
CID 102768513
2-N-(3-ethylpentan-2-yl)pyridine-2,5-diamine
CID 63842921
2-[(5-amino-1,3-thiazol-2-yl)amino]-N-ethyl-N-methylpropanamide
CID 103106716
1-[(5-amino-1,3-thiazol-2-yl)amino]propan-2-ol
CID 102767603
2-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3-thiazole-2,5-diamine
CID 102767910
5-N-(3-ethylpentan-2-yl)pyridine-2,5-diamine
CID 63842404
5-bromo-N-(3-methylpentan-2-yl)-1,3-thiazol-2-amine
CID 130977842

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-ethylpentan-2-yl)-1,3-thiazole-2,5-diamine?
The IUPAC name of 2-N-(3-ethylpentan-2-yl)-1,3-thiazole-2,5-diamine (CID 102768492) is 2-N-(3-ethylpentan-2-yl)-1,3-thiazole-2,5-diamine.
What is the SMILES notation for 2-N-(3-ethylpentan-2-yl)-1,3-thiazole-2,5-diamine?
The canonical SMILES for 2-N-(3-ethylpentan-2-yl)-1,3-thiazole-2,5-diamine is CCC(CC)C(C)Nc1ncc(N)s1.
What is the InChIKey of 2-N-(3-ethylpentan-2-yl)-1,3-thiazole-2,5-diamine?
The InChIKey is PUGSHHXDVZUQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-4-8(5-2)7(3)13-10-12-6-9(11)14-10/h6-8H,4-5,11H2,1-3H3,(H,12,13).
What are the key properties of 2-N-(3-ethylpentan-2-yl)-1,3-thiazole-2,5-diamine?
2-N-(3-ethylpentan-2-yl)-1,3-thiazole-2,5-diamine has a molecular weight of 213.35 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-ethylpentan-2-yl)-1,3-thiazole-2,5-diamine is sourced from PubChem (CID 102768492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).