N-[(2-amino-1,3-thiazol-5-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine

C9H13N5S2 — CID 146141557

IUPACN-[(2-amino-1,3-thiazol-5-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)c1nsc(NCc2cnc(N)s2)n1
InChIInChI=1S/C9H13N5S2/c1-5(2)7-13-9(16-14-7)12-4-6-3-11-8(10)15-6/h3,5H,4H2,1-2H3,(H2,10,11)(H,12,13,14)
InChIKeyBLIGHZHKBRMOOO-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.31
Rot. Bonds4

About N-[(2-amino-1,3-thiazol-5-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine

N-[(2-amino-1,3-thiazol-5-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine (PubChem CID 146141557) has the molecular formula C9H13N5S2 and a molecular weight of 255.37 g/mol. Its IUPAC name is N-[(2-amino-1,3-thiazol-5-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(2-amino-1,3-thiazol-5-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
PubChem CID146141557
Molecular FormulaC9H13N5S2
Molecular Weight255.37 g/mol
Exact Mass255.06
IUPAC NameN-[(2-amino-1,3-thiazol-5-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)c1nsc(NCc2cnc(N)s2)n1
InChIInChI=1S/C9H13N5S2/c1-5(2)7-13-9(16-14-7)12-4-6-3-11-8(10)15-6/h3,5H,4H2,1-2H3,(H2,10,11)(H,12,13,14)
InChIKeyBLIGHZHKBRMOOO-UHFFFAOYSA-N
XLogP2.31
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65277068
3-propan-2-yl-N-propyl-1,2,4-thiadiazol-5-amine
CID 65269095
1-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)butane-1,2-diamine
CID 65275792
N-[(1-methylpyrazol-3-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 82872726
N-[(3-methylphenyl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65271290
5-[(1-cyclopropylethylamino)methyl]-1,3-thiazol-2-amine
CID 118958251
2,2-dimethyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)butane-1,4-diamine
CID 106142084
N-(5-chloropentyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 107320621
4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80960564
N-(2-methylsulfanylethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65274566
3-propan-2-yl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,4-thiadiazol-5-amine
CID 65274344
N-(3-methylbut-2-enyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 103525237

Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-1,3-thiazol-5-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[(2-amino-1,3-thiazol-5-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine (CID 146141557) is N-[(2-amino-1,3-thiazol-5-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[(2-amino-1,3-thiazol-5-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[(2-amino-1,3-thiazol-5-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine is CC(C)c1nsc(NCc2cnc(N)s2)n1.
What is the InChIKey of N-[(2-amino-1,3-thiazol-5-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is BLIGHZHKBRMOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5S2/c1-5(2)7-13-9(16-14-7)12-4-6-3-11-8(10)15-6/h3,5H,4H2,1-2H3,(H2,10,11)(H,12,13,14).
What are the key properties of N-[(2-amino-1,3-thiazol-5-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
N-[(2-amino-1,3-thiazol-5-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 255.37 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-1,3-thiazol-5-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 146141557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).