5-cyclopropyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine

C12H17N3OS — CID 114180756

IUPAC5-cyclopropyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1nc(CNC2=NCC(C3CC3)S2)oc1C
InChIInChI=1S/C12H17N3OS/c1-7-8(2)16-11(15-7)6-14-12-13-5-10(17-12)9-3-4-9/h9-10H,3-6H2,1-2H3,(H,13,14)
InChIKeyRXBUOBWFJXJGRK-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.26
Rot. Bonds3

About 5-cyclopropyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine

5-cyclopropyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 114180756) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-cyclopropyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID114180756
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name5-cyclopropyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1nc(CNC2=NCC(C3CC3)S2)oc1C
InChIInChI=1S/C12H17N3OS/c1-7-8(2)16-11(15-7)6-14-12-13-5-10(17-12)9-3-4-9/h9-10H,3-6H2,1-2H3,(H,13,14)
InChIKeyRXBUOBWFJXJGRK-UHFFFAOYSA-N
XLogP2.26
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106375333
5-cyclopropyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 79238597
5-cyclopropyl-N-[(1-methylpiperidin-2-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 63296522
2-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-methylacetamide
CID 63296562
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4,5-dimethyl-1,3-thiazol-2-amine
CID 106374123
5-cyclopropyl-N-(thian-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 80612753
5-cyclopropyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 55171605
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]hydroxylamine
CID 82594349
2-cyclopropyl-4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 106378820
5-cyclopropyl-N-[(1,4-dimethylpiperidin-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 107164685
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]cyclopropanecarboxamide
CID 103623190
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,3,5,6-tetrafluoropyridin-4-amine
CID 113254675

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-cyclopropyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 114180756) is 5-cyclopropyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-cyclopropyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-cyclopropyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine is Cc1nc(CNC2=NCC(C3CC3)S2)oc1C.
What is the InChIKey of 5-cyclopropyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is RXBUOBWFJXJGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-7-8(2)16-11(15-7)6-14-12-13-5-10(17-12)9-3-4-9/h9-10H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 5-cyclopropyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
5-cyclopropyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 251.35 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 114180756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).