5-[4-(cyclopropylmethyl)piperazin-1-yl]-4-methoxy-1,2-thiazol-3-amine

C12H20N4OS — CID 103380881

IUPAC5-[4-(cyclopropylmethyl)piperazin-1-yl]-4-methoxy-1,2-thiazol-3-amine
SMILESCOc1c(N)nsc1N1CCN(CC2CC2)CC1
InChIInChI=1S/C12H20N4OS/c1-17-10-11(13)14-18-12(10)16-6-4-15(5-7-16)8-9-2-3-9/h9H,2-8H2,1H3,(H2,13,14)
InChIKeyOIJMUPIBPKALAF-UHFFFAOYSA-N
MW268.39 g/mol
LogP1.27
Rot. Bonds4

About 5-[4-(cyclopropylmethyl)piperazin-1-yl]-4-methoxy-1,2-thiazol-3-amine

5-[4-(cyclopropylmethyl)piperazin-1-yl]-4-methoxy-1,2-thiazol-3-amine (PubChem CID 103380881) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is 5-[4-(cyclopropylmethyl)piperazin-1-yl]-4-methoxy-1,2-thiazol-3-amine.

Molecular Properties

Compound Name5-[4-(cyclopropylmethyl)piperazin-1-yl]-4-methoxy-1,2-thiazol-3-amine
PubChem CID103380881
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name5-[4-(cyclopropylmethyl)piperazin-1-yl]-4-methoxy-1,2-thiazol-3-amine
SMILESCOc1c(N)nsc1N1CCN(CC2CC2)CC1
InChIInChI=1S/C12H20N4OS/c1-17-10-11(13)14-18-12(10)16-6-4-15(5-7-16)8-9-2-3-9/h9H,2-8H2,1H3,(H2,13,14)
InChIKeyOIJMUPIBPKALAF-UHFFFAOYSA-N
XLogP1.27
TPSA54.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-amino-5-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2-thiazole-4-carboxylate
CID 103380879
3-amino-5-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2-thiazole-4-carboxamide
CID 103380877
N-[[1-(3-amino-4-methoxy-1,2-thiazol-5-yl)piperidin-4-yl]methyl]acetamide
CID 103384866
3-amino-5-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methyl-1,2-thiazole-4-carboxamide
CID 103380880
5-(3,5-dimethylpiperidin-1-yl)-4-methoxy-1,2-thiazol-3-amine
CID 103381022
4-methoxy-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,2-thiazol-3-amine
CID 103381799
4-methoxy-5-(2-methylthiomorpholin-4-yl)-1,2-thiazol-3-amine
CID 103384673
4-ethoxy-5-(4-propylazepan-1-yl)-1,2-thiazol-3-amine
CID 103363122
4-propan-2-yloxy-5-(4-propylazepan-1-yl)-1,2-thiazol-3-amine
CID 103363125
4-(3-amino-4-methoxy-1,2-thiazol-5-yl)-1-methyl-1,4-diazepan-2-one
CID 103384693
4-methoxy-5-(3-methylthiomorpholin-4-yl)-1,2-thiazol-3-amine
CID 103382023
4-[4-(cyclopropylmethyl)piperazin-1-yl]-6-ethoxy-1,3,5-triazin-2-amine
CID 80800018

Frequently Asked Questions

What is the IUPAC name of 5-[4-(cyclopropylmethyl)piperazin-1-yl]-4-methoxy-1,2-thiazol-3-amine?
The IUPAC name of 5-[4-(cyclopropylmethyl)piperazin-1-yl]-4-methoxy-1,2-thiazol-3-amine (CID 103380881) is 5-[4-(cyclopropylmethyl)piperazin-1-yl]-4-methoxy-1,2-thiazol-3-amine.
What is the SMILES notation for 5-[4-(cyclopropylmethyl)piperazin-1-yl]-4-methoxy-1,2-thiazol-3-amine?
The canonical SMILES for 5-[4-(cyclopropylmethyl)piperazin-1-yl]-4-methoxy-1,2-thiazol-3-amine is COc1c(N)nsc1N1CCN(CC2CC2)CC1.
What is the InChIKey of 5-[4-(cyclopropylmethyl)piperazin-1-yl]-4-methoxy-1,2-thiazol-3-amine?
The InChIKey is OIJMUPIBPKALAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-17-10-11(13)14-18-12(10)16-6-4-15(5-7-16)8-9-2-3-9/h9H,2-8H2,1H3,(H2,13,14).
What are the key properties of 5-[4-(cyclopropylmethyl)piperazin-1-yl]-4-methoxy-1,2-thiazol-3-amine?
5-[4-(cyclopropylmethyl)piperazin-1-yl]-4-methoxy-1,2-thiazol-3-amine has a molecular weight of 268.39 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(cyclopropylmethyl)piperazin-1-yl]-4-methoxy-1,2-thiazol-3-amine is sourced from PubChem (CID 103380881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).